(S)-2-(((Benzyloxy)carbonyl)amino)butanoic Acid

Catalog:	BB073923
Product Name:	(S)-2-(((Benzyloxy)carbonyl)amino)butanoic Acid
Synonyms:	(S)-2-(((Benzyloxy)carbonyl)amino)butanoic acid; (S)-2-(Bezyloxycarbonylamino)butanoic acid; (2S)-2-{[(benzyloxy)carbonyl]amino}butanoic acid; Butanoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-; (S)-2-(BENZYLOXYCARBONYLAMINO)BUTANOIC ACID; (S)-2-(Cbz-amino)butyric Acid

Technical Data

IUPAC Name:	(2S)-2-(phenylmethoxycarbonylamino)butanoic acid
Description:	(S)-2-(((Benzyloxy)carbonyl)amino)butanoic Acid is an intermediate used in the synthesis of D-Serine 1,1-Dimethylethyl Ester (S270970), which is used in the synthesis of Vanchrobactin, an antibacterial agent used in the treatment of vibriosis.
Molecular Weight:	237.25
Molecular Formula:	C12H15NO4
Canonical SMILES:	CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C12H15NO4/c1-2-10(11(14)15)13-12(16)17-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,16)(H,14,15)/t10-/m0/s1
InChI Key:	SZQMTCSQWUYUML-JTQLQIEISA-N
References:	Balado, M. et al. Appl. Environ. Microbiol., 75, 2775 (2009); Soengas, R. et al. Org. Biomol. Chem., 6, 1278 (2008).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	237.10010796
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	237.10010796
Rotatable Bond Count:	6
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2