(S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid

C13H17NO4CAS 21691-44-1251.28 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
logP
2.17Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

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
21691-44-1
SMILES
CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChIKey
NSJDRLWFFAWSFP-NSHDSACASA-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)/t11-/m0/s1

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

Names and synonyms

12 names
  • N-[(Phenylmethoxy)carbonyl]-L-norvaline
  • L-Norvaline, N-[(phenylmethoxy)carbonyl]-
  • (2S)-2-(Phenylmethoxycarbonylamino)pentanoic acid
  • Norvaline, N-carboxy-, N-benzyl ester, L-
  • N-(Benzyloxycarbonyl)-L-norvaline
  • N-(Carbobenzoxy)norvaline
  • (Benzyloxycarbonyl)norvaline
  • N-(Benzyloxycarbonyl)norvaline
  • L-(Carbobenzyloxy)norvaline
  • Z-L-Norvaline
  • N-Carbobenzyloxy-L-norvaline
  • Cbz-L-norvaline

Work with (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid

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.

Z-D-Nva-oh42918-89-8Enantiomer N-((Phenylmethoxy)carbonyl)norvaline21691-43-0Stereo not defined

Similar compounds

N-Carbobenzoxy-DL-norleucine15027-13-186 % similar (2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-577 % 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 N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-573 % 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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