chempirical

N-((Phenylmethoxy)carbonyl)norvaline

C13H17NO4CAS 21691-43-0251.28 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
logP
2.37Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

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
21691-43-0
SMILES
CCCC(N=C(O)OCc1ccccc1)C(=O)O
InChIKey
NSJDRLWFFAWSFP-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16)

Weigh it out

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

Names and synonyms

12 names
  • N-[(Phenylmethoxy)carbonyl]norvaline
  • Norvaline, N-[(phenylmethoxy)carbonyl]-
  • Norvaline, N-carboxy-, N-benzyl ester, DL-
  • DL-Norvaline, N-[(phenylmethoxy)carbonyl]-
  • Norvaline, N-carboxy-, N-benzyl ester
  • N-(Benzyloxycarbonyl)-DL-norvaline
  • DL-(Carbobenzyloxy)norvaline
  • N-Carbobenzyloxy-DL-norvaline
  • NSC 97947
  • Cbz-DL-norvaline
  • 2-(Phenylmethoxycarbonylamino)pentanoic acid
  • 2-[[(Benzyloxy)carbonyl]amino]pentanoic acid

Work with N-((Phenylmethoxy)carbonyl)norvaline

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.

(S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1Defined stereoisomer Z-D-Nva-oh42918-89-8Defined stereoisomer

Similar compounds

(2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-577 % similar 5-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-glutamate5680-86-474 % similar z-d-Glu(obzl)-oh59486-73-674 % similar N-((Phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine20806-43-373 % similar Benzyloxycarbonyl-L-methionine1152-62-173 % similar Cbz-D-methionine28862-80-873 % similar N-Benzyloxycarbonyl-DL-methionine4434-61-173 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-373 % 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 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 5-(Carbobenzoxyamino)valeric acid23135-50-4 Alibendol26750-81-2

Elsewhere

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