Cbz-DL-β-phenylalanine - CAS 14440-98-3

Catalog:	BB070459
Product Name:	Cbz-DL-β-phenylalanine
CAS:	14440-98-3
Synonyms:	β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid; (±)-β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid ; DL-β-(Carboxyamino)-hydrocinnamic Acid β-Benzyl Ester; NSC 195911

Technical Data

Related CAS:	14477-66-8
IUPAC Name:	3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
Description:	Cbz-DL-β-phenylalanine is a useful synthetic intermediate. It can be used to prepare diphenyl-substituted amino alcohols as protease inhibitors. It is also used to synthesize DL-β-Phenylalanine N-Hydroxysuccinimide Ester (P319400)
Molecular Weight:	299.32
Molecular Formula:	C17H17NO4
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC=C2
InChI:	InChI=1S/C17H17NO4/c19-16(20)11-15(14-9-5-2-6-10-14)18-17(21)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)
InChI Key:	POJLWVWXBAHGGO-UHFFFAOYSA-N
References:	Gordon, E., et al. Eur. Pat. Appl. (1994), EP 580402 A2 19940126.

Complexity:	360
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.11575802
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	299.11575802
Rotatable Bond Count:	7
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5