CAS 2002-02-0 | Proline, 4-oxo- | CAS Number 2002-02-0

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2002-02-0 | Proline, 4-oxo-

CAS No: 2002-02-0 Catalog No: AG002CMA MDL No:

Product Description

Catalog Number:

AG002CMA

Chemical Name:

Proline, 4-oxo-

CAS Number:

2002-02-0

Molecular Formula:

C5H7NO3

Molecular Weight:

129.1140

IUPAC Name:

4-oxopyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)

InChI Key:

HFXAFXVXPMUQCQ-UHFFFAOYSA-N

SMILES:

O=C1CN[C@@H](C1)C(=O)O

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

129.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

129.115g/mol

Monoisotopic Mass:

129.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.3

Literature

Title	Journal
Direct and continuous assay for prolyl 4-hydroxylase.	Analytical biochemistry 20090315
Novel dipeptide macrocycles from 4-oxo, -thio, and -amino-substituted proline derivatives.	The Journal of organic chemistry 20020531
[Stereochemistry of the reductive amination of 4-oxoproline derivatives with glycine esters].	Bioorganicheskaia khimiia 20020101