1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
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Product
1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS
1378388-35-2
Formula
C12H18NO6-
Product Description
1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- is a complex organic compound with the molecular formula C12H18NO6. It is primarily recognized for its role as an intermediate in the synthesis of various pharmaceutical compounds.
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Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
386
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Rotatable Bond Count
5
Allowed IUPAC Name
(3S,5S)-1-tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidine-3-carboxylic acid
CAS-like Style IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid
Markup IUPAC Name
(3<I>S</I>,5<I>S</I>)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Preferred IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Systematic IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Traditional IUPAC Name
(3S,5S)-1-tert-butoxycarbonyl-5-carbomethoxy-pyrrolidine-3-carboxylic acid
Standard InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-6-7(9(14)15)5-8(13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8-/m0/s1
Standard InChIKey
HMHBAEDPNFIUEI-YUMQZZPRSA-N
XLogP3-AA Log P
0.7
Exact Mass
273.12123733
Molecular Weight
273.28
Canonical SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C(=O)O
Polar Surface Area Topological
93.1
MonoIsotopic Weight
273.12123733
Chemical Structure
Class
Uses of 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
This compound is utilized in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of other bioactive molecules. Its unique structure allows it to participate in various chemical reactions, making it valuable in drug development and formulation.
Industries that use 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
- Pharmaceutical - Used in the development of new drugs and therapeutic agents, particularly in the synthesis of compounds with potential medicinal properties.
- Chemical Manufacturing - Serves as an intermediate in the production of specialty chemicals and other organic compounds.
- Biotechnology - Utilized in research and development for creating novel compounds with biological activity.
Related Products
- Complementary Products
- Alternative Products
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1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
Product
1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
CAS
1378388-35-2
Formula
C12H18NO6-
Product Description
1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- is a complex organic compound with the molecular formula C12H18NO6. It is primarily recognized for its role as an intermediate in the synthesis of various pharmaceutical compounds.
Need a quote for 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
386
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Rotatable Bond Count
5
Allowed IUPAC Name
(3S,5S)-1-tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidine-3-carboxylic acid
CAS-like Style IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid
Markup IUPAC Name
(3<I>S</I>,5<I>S</I>)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Preferred IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Systematic IUPAC Name
(3S,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Traditional IUPAC Name
(3S,5S)-1-tert-butoxycarbonyl-5-carbomethoxy-pyrrolidine-3-carboxylic acid
Standard InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-6-7(9(14)15)5-8(13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8-/m0/s1
Standard InChIKey
HMHBAEDPNFIUEI-YUMQZZPRSA-N
XLogP3-AA Log P
0.7
Exact Mass
273.12123733
Molecular Weight
273.28
Canonical SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C(=O)O
Polar Surface Area Topological
93.1
MonoIsotopic Weight
273.12123733
Chemical Structure
Class
Uses of 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
This compound is utilized in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of other bioactive molecules. Its unique structure allows it to participate in various chemical reactions, making it valuable in drug development and formulation.
Industries that use 1,2,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
- Pharmaceutical - Used in the development of new drugs and therapeutic agents, particularly in the synthesis of compounds with potential medicinal properties.
- Chemical Manufacturing - Serves as an intermediate in the production of specialty chemicals and other organic compounds.
- Biotechnology - Utilized in research and development for creating novel compounds with biological activity.
Related Products
- Complementary Products
- Alternative Products
Contact Us
