N-(Benzyloxycarbonyl)-DL-alanine

C11H13NO4CAS 4132-86-9223.23 g/mol

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NHOOOHO
Carboxylic acid

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
114–115 °C
logP
1.59Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4132-86-9
SMILES
CC(N=C(O)OCc1ccccc1)C(=O)O
InChIKey
TYRGLVWXHJRKMT-UHFFFAOYSA-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)

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Names and synonyms

14 names · show all
  • Alanine, N-[(phenylmethoxy)carbonyl]-
  • Alanine, N-carboxy-, N-benzyl ester, DL-
  • DL-Alanine, N-carboxy-, N-benzyl ester
  • N-[(Phenylmethoxy)carbonyl]alanine
  • N-Carbobenzoxy-DL-alanine
  • Benzyloxycarbonyl-DL-alanine
  • N-Benzoxycarbonyl-DL-alanine
  • DL-(Carbobenzyloxy)alanine
  • N-Carbobenzyloxy-DL-alanine
  • NSC 27684
  • N-Cbz-DL-alanine
  • Z-DL-Ala-OH
  • 2-[(Benzyloxycarbonyl)amino]propanoic acid
  • DL-Cbz alanine

Work with N-(Benzyloxycarbonyl)-DL-alanine

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-Carbobenzyloxyalanine1142-20-7Defined stereoisomer N-Cbz-D-alanine26607-51-2Defined stereoisomer

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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