chempirical

N-(Benzyloxycarbonyl)-D-phenylalanine

C17H17NO4CAS 2448-45-5299.33 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
85–88 °C
logP
2.81Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 3 ECHA notifiers. Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2448-45-5
SMILES
O=C(O)[C@@H](Cc1ccccc1)N=C(O)OCc1ccccc1
InChIKey
RRONHWAVOYADJL-OAHLLOKOSA-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-/m1/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • D-Phenylalanine, N-[(phenylmethoxy)carbonyl]-
  • N-Carbobenzoxy-D-phenylalanine
  • Carbobenzoxy-D-phenylalanine
  • N-Benzyloxycarbonyl-(R)-phenylalanine
  • D-(Carbobenzoxy)phenylalanine
  • Benzyloxycarbonyl-D-phenylalanine
  • Carbobenzyloxy-D-phenylalanine
  • (R)-N-(Benzyloxycarbonyl)phenylalanine
  • D-(Carbobenzyloxy)phenylalanine
  • N-Carbobenzyloxy-D-phenylalanine
  • CBZ-D-Phenylalanine
  • NSC 522449
  • N-CBZ-D-phenylalanine
  • (R)-2-(Benzyloxycarbonylamino)-3-phenylpropanoic acid
  • (2R)-3-Phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
  • Alanine, N-carboxy-3-phenyl-, N-benzyl ester, D-
  • N-[(Phenylmethoxy)carbonyl]-D-phenylalanine

Work with N-(Benzyloxycarbonyl)-D-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-phenylalanine1161-13-3Enantiomer 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

PubChem CAS Common Chemistry NIST WebBook