chempirical

N-(Benzyloxycarbonyl)-dl-phenylalanine

C17H17NO4CAS 3588-57-6299.33 g/mol

Open in Covalent MOL file
OHONHOO
Carboxylic acid

Properties

Molecular formula
C17H17NO4
Molar mass
299.33 g/mol
Exact mass
299.1158 Da
Melting point
102–103 °C
logP
2.81Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3588-57-6
SMILES
O=C(O)C(Cc1ccccc1)N=C(O)OCc1ccccc1
InChIKey
RRONHWAVOYADJL-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

13 names · show all
  • Phenylalanine, N-[(phenylmethoxy)carbonyl]-
  • Alanine, N-carboxy-3-phenyl-, N-benzyl ester, DL-
  • N-[(Phenylmethoxy)carbonyl]phenylalanine
  • Carbobenzoxy-DL-phenylalanine
  • DL-N-(Benzoxycarbonyl)phenylalanine
  • N-Carbobenzoxy-DL-phenylalanine
  • DL-(Carbobenzyloxy)phenylalanine
  • 2-((Benzyloxycarbonyl)amino)-3-phenylpropanoic acid
  • NSC 333486
  • DL-Cbz phenylalanine
  • N-(Carbobenzyloxy)-DL-phenylalanine
  • 3-Phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
  • N-Benzyloxycarbonyl-DL-3-phenylalanine

Work with N-(Benzyloxycarbonyl)-dl-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.

Benzyloxycarbonyl-L-phenylalanine1161-13-3Defined stereoisomer N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-5Defined stereoisomer

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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