chempirical

N2-[(Phenylmethoxy)carbonyl]-L-asparagine

C12H14N2O5CAS 2304-96-3266.25 g/mol

Open in Covalent MOL file
H2NONHOOOOH
Carboxylic acid

Properties

Molecular formula
C12H14N2O5
Molar mass
266.25 g/mol
Exact mass
266.0903 Da
Melting point
165 °C
logP
1.50Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2304-96-3
SMILES
N=C(O)C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
FUCKRCGERFLLHP-VIFPVBQESA-N
InChI
InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Asparagine, N2-[(phenylmethoxy)carbonyl]-
  • Asparagine, N2-carboxy-, N2-benzyl ester, L-
  • Asparagine, N2-carboxy-, N-benzyl ester
  • Carbobenzoxy-L-asparagine
  • N-(Benzyloxycarbonyl)-L-asparagine
  • N-Carbobenzoxy-L-asparagine
  • N2-(Benzyloxycarbonyl)-L-asparagine
  • NSC 59837
  • NSC 88498
  • (S)-4-Amino-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoic acid
  • (2S)-2-[[(Benzyloxy)carbonyl]amino]-3-carbamoylpropanoic acid
  • (2S)-4-Amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
  • N-Cbz-L-asparagine

Work with N2-[(Phenylmethoxy)carbonyl]-L-asparagine

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

Similar compounds

N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-879 % similar Benzyloxycarbonyl-L-aspartic acid1152-61-074 % similar 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate3479-47-874 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-371 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-571 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-671 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-870 % similar N-Benzyloxycarbonyl-dl-serine2768-56-170 % similar

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

Same formula

N-(4-Aminobenzoyl)-L-glutamic acid4271-30-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook