(R)-N-(1-Carboxyethyl)-D-norvaline 1-Ethyl Ester - CAS 145682-38-8

Catalog:	BB062249
Product Name:	(R)-N-(1-Carboxyethyl)-D-norvaline 1-Ethyl Ester
CAS:	145682-38-8
Synonyms:	N-[(1R)-1-Carboxyethyl]-D-norvaline 1-Ethyl Ester; (R)-2-(((R)-1-Ethoxy-1-oxopentan-2-yl)amino)propanoic Acid

Technical Data

IUPAC Name:	(2R)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
Description:	(R)-N-(1-Carboxyethyl)-D-norvaline 1-Ethyl Ester is an intermediate in the synthesis of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.
Molecular Weight:	217.26
Molecular Formula:	C10H19NO4
Canonical SMILES:	CCCC(C(=O)OCC)NC(C)C(=O)O
InChI:	InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
InChI Key:	AUVAVXHAOCLQBF-HTQZYQBOSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C
References:	Pascard, C., et al. J. Med. Chem., 34, 663 (1991).

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	217.13140809
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	217.13140809
Rotatable Bond Count:	8
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9