chempirical

Benzyloxycarbonyl-L-valine

C13H17NO4CAS 1149-26-4251.28 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
Melting point
64–65 °C
logP
2.23Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

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

Identifiers

CAS number
1149-26-4
SMILES
CC(C)[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
CANZBRDGRHNSGZ-NSHDSACASA-N
InChI
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Valine, N-[(phenylmethoxy)carbonyl]-
  • Valine, N-carboxy-, N-benzyl ester, L-
  • N-[(Phenylmethoxy)carbonyl]-L-valine
  • N-Carbobenzoxy-L-valine
  • N-(Benzyloxycarbonyl)valine
  • N-Carbobenzoxyvaline
  • N-(Benzyloxycarbonyl)-L-valine
  • Carbobenzoxy-L-valine
  • N-Benzyloxycarbonyl-(S)-valine
  • CBZ-L-valine
  • N-Carbobenzyloxy-L-valine
  • (+)-N-[(Phenylmethoxy)carbonyl]-L-valine
  • (S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid
  • (2S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid
  • (2S)-3-Methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Work with Benzyloxycarbonyl-L-valine

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.

Cbz-D-valine1685-33-2Enantiomer N-(Benzyloxycarbonyl)-DL-valine3588-63-4Stereo not defined

Similar compounds

Z-Thr-OH19728-63-377 % similar N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-674 % similar N-Carbobenzyloxyalanine1142-20-772 % similar N-(Benzyloxycarbonyl)-DL-alanine4132-86-972 % similar (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid69901-75-370 % similar Benzyloxycarbonyl-L-leucine2018-66-866 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-565 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-565 % similar

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

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 N-((Phenylmethoxy)carbonyl)norvaline21691-43-0 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 5-(Carbobenzoxyamino)valeric acid23135-50-4 Alibendol26750-81-2

Elsewhere

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