Benzyloxycarbonyl-L-phenylalanine

C₁₇H₁₇NO₄CAS 1161-13-3299.33 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₇H₁₇NO₄
Molar mass: 299.33 g/mol
Exact mass: 299.1158 Da
Melting point: 103 °C
logP: 2.81Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1161-13-3

SMILES

O=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1

InChIKey

RRONHWAVOYADJL-HNNXBMFYSA-N

InChI

InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all

L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-
Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L-
N-[(Phenylmethoxy)carbonyl]-L-phenylalanine
N-Carbobenzoxy-L-phenylalanine
Carbobenzoxy-L-phenylalanine
N-(Benzyloxycarbonyl)-L-phenylalanine
N-Carboxy-3-phenyl-L-alanine N-benzyl ester
(Benzyloxycarbonyl)phenylalanine
N-(Carbobenzyloxy)-L-phenylalanine
N-[(Benzyloxy)carbonyl]phenylalanine
(Carbobenzoxy)phenylalanine
N-(Carbobenzoxy)phenylalanine
N-Benzyloxycarbonyl-(S)-phenylalanine
L-(Carbobenzoxy)phenylalanine
(S)-N-(Benzyloxycarbonyl)phenylalanine
L-(Carbobenzyloxy)phenylalanine
(2S)-2-((Benzyloxycarbonyl)amino)-3-phenylpropionic acid
N-(Carbobenzyloxy)phenylalanine
N-Cbz-L-phenylalanine
(2S)-2-[(Benzyloxycarbonyl)amino]-3-phenylpropanoic acid
L-Cbz phenylalanine
(S)-2-(Benzyloxycarbonylamino)-3-phenyl-propanoic acid
(2S)-3-Phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
(2S)-2-[[(Benzyloxy)carbonyl]amino]-3-phenylpropanoic acid

Work with Benzyloxycarbonyl-L-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-5Enantiomer N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-6Stereo not defined

Similar compounds

Carbobenzoxy-L-tyrosine1164-16-588 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-878 % similar N-Benzyloxycarbonyl-DL-serine2768-56-178 % similar N-((Phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine20806-43-376 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-576 % similar 3-Amino-N-((phenylmethoxy)carbonyl)-D-alanine62234-37-176 % similar N,N′-Bis[(phenylmethoxy)carbonyl]-L-cystine6968-11-276 % similar N-[(Phenylmethoxy)carbonyl]glycyl-L-phenylalanine1170-76-976 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2R,3S)-N-Benzoyl-3-phenylisoserine methyl ester32981-85-4

Elsewhere

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