1-[(2R)-3-Hydroxy-2-methyl-1-oxopropyl]-L-proline - CAS 613256-52-3

Catalog:	BB060999
Product Name:	1-[(2R)-3-Hydroxy-2-methyl-1-oxopropyl]-L-proline
CAS:	613256-52-3
Synonyms:	1-[(2R)-3-Hydroxy-2-methyl-1-oxopropyl]-L-proline; ((R)-3-Hydroxy-2-methylpropanoyl)-L-proline; (2S)-1-[(2R)-3-HYDROXY-2-METHYLPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID; 1-[(2R)-3-Hydroxy-2-methylpropanoyl]-L-proline; (2S)-1-[(R)-2-Methyl-3-hydroxy-1-oxopropyl]pyrrolidine-2alpha-carboxylic acid

Technical Data

IUPAC Name:	(2S)-1-[(2R)-3-hydroxy-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Description:	1-[(2R)-3-Hydroxy-2-methyl-1-oxopropyl]-L-proline is used in the synthesis of the antihypertensive amide Captopril (C175750).
Molecular Weight:	201.22
Molecular Formula:	C9H15NO4
Canonical SMILES:	CC(CO)C(=O)N1CCCC1C(=O)O
InChI:	InChI=1S/C9H15NO4/c1-6(5-11)8(12)10-4-2-3-7(10)9(13)14/h6-7,11H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
InChI Key:	OTGZFIBHHGZWEJ-RQJHMYQMSA-N
References:	Cushman, D., et al. Biochemistry, 16, 5485 (1977), Ondetti, M., et al. Science, 196, 441 (1977), Greenlee, W., et al. Annu. Rep. Med. Chem., 26, 63 (1991),.

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	201.10010796
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.10010796
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6