chempirical

N-Carbobenzyloxyalanine

C11H13NO4CAS 1142-20-7223.23 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
84 °C
logP
1.59Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1142-20-7
SMILES
C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
TYRGLVWXHJRKMT-QMMMGPOBSA-N
InChI
InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Benzyloxycarbonyl-L-alanine
  • L-Alanine, N-[(phenylmethoxy)carbonyl]-
  • Alanine, N-carboxy-, N-benzyl ester, L-
  • L-Alanine, N-carboxy-, N-benzyl ester
  • N-[(Phenylmethoxy)carbonyl]-L-alanine
  • N-[(Benzyloxy)carbonyl]-L-alanine
  • N-Benzoxycarbonyl-L-alanine
  • N-(Carbobenzoxy)-L-alanine
  • L-Carbobenzoxyalanine
  • N-(Benzyloxycarbonyl)-(S)-alanine
  • L-N-(Benzyloxycarbonyl)alanine
  • L-Carbobenzyloxyalanine
  • N-Carbobenzyloxy-L-alanine
  • NSC 156978
  • NSC 88469
  • (S)-2-(Benzyloxycarbonylamino)propanoic acid
  • (S)-2-[(Benzyloxycarbonyl)amino]propionic acid
  • L-Cbz alanine
  • Cbz-L-ala-OH
  • (2S)-2-[[(Benzyloxy)carbonyl]amino]propanoic acid
  • N-Cbz alanine

Work with N-Carbobenzyloxyalanine

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-Cbz-D-alanine26607-51-2Enantiomer N-(Benzyloxycarbonyl)-DL-alanine4132-86-9Stereo not defined

Similar compounds

N-((Phenylmethoxy)carbonyl)-L-alanyl-L-alanine16012-70-788 % similar Benzyloxycarbonyl-L-valine1149-26-472 % similar N-(Benzyloxycarbonyl)-DL-valine3588-63-472 % similar Z-Thr-OH19728-63-369 % similar Benzyloxycarbonyl-L-leucine2018-66-869 % similar N-((Phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine20806-43-368 % similar (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-568 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-367 % similar

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

Same formula

N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

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