chempirical

4-(Benzyloxycarbonylamino)butyric acid

C12H15NO4CAS 5105-78-2237.26 g/mol

Open in Covalent MOL file
OHONHOO
Carboxylic acid

Properties

Molecular formula
C12H15NO4
Molar mass
237.26 g/mol
Exact mass
237.1001 Da
Melting point
64.5 °C
logP
1.98Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
5105-78-2
SMILES
O=C(O)CCCN=C(O)OCc1ccccc1
InChIKey
STQMDRQJSNKUAW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)

Weigh it out

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Names and synonyms

14 names · show all
  • Butanoic acid, 4-[[(phenylmethoxy)carbonyl]amino]-
  • Butyric acid, 4-(carboxyamino)-, N-benzyl ester
  • Butyric acid, 4-(carboxyamino)-, 4-benzyl ester
  • 4-[[(Phenylmethoxy)carbonyl]amino]butanoic acid
  • Carbobenzoxy-4-aminobutyric acid
  • N-Carbobenzyloxy-γ-aminobutyric acid
  • 4-(Benzyloxycarbonylamino)butanoic acid
  • N-Benzyloxycarbonyl-γ-aminobutyric acid
  • 4-[(N-Carbobenzoxy)amino]butyric acid
  • 4-((N-Benzyloxycarbonyl)amino)butyric acid
  • NSC 120007
  • Benzyl (3-carboxypropyl)carbamate
  • 4-(Cbz-amino)butyric acid
  • 4-(((Benzyloxy)carbonyl)amino)butanoic acid

Work with 4-(Benzyloxycarbonylamino)butyric 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

Similar compounds

N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-890 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-184 % similar Benzyloxycarbonylglycine1138-80-370 % similar 16-(Benzyloxy)-16-oxohexadecanoic acid146004-98-060 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-060 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-659 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-359 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-258 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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