chempirical

N-(Benzyloxycarbonyl)-6-aminohexanoic acid

C14H19NO4CAS 1947-00-8265.31 g/mol

Open in Covalent MOL file
OHONHOO
Carboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
Melting point
55 °C
logP
2.76Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
1947-00-8
SMILES
O=C(O)CCCCCN=C(O)OCc1ccccc1
InChIKey
RXQDBVWDABAAHL-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)

Weigh it out

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

Names and synonyms

16 names · show all
  • Hexanoic acid, 6-[[(phenylmethoxy)carbonyl]amino]-
  • Hexanoic acid, 6-(carboxyamino)-, N-benzyl ester
  • 6-[[(Phenylmethoxy)carbonyl]amino]hexanoic acid
  • Carbobenzoxy-ε-aminocaproic acid
  • N-(Carbobenzoxy)-6-aminocaproic acid
  • 6-[(Benzyloxycarbonyl)amino]hexanoic acid
  • N-(Benzyloxycarbonyl)-6-aminocaproic acid
  • N-(Benzyloxycarbonyl)-ε-aminocaproic acid
  • N-Carbobenzoxy-ε-aminohexanoic acid
  • 6-(Benzyloxycarbonylamino)caproic acid
  • 6-(N-Benzyloxycarbonylamino)hexanoic acid
  • 6-(N-Carbobenzyloxyamino)hexanoic acid
  • NSC 92812
  • VIB 197
  • 6-[(Carbobenzyloxy)amino]caproic acid
  • 6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid

Work with N-(Benzyloxycarbonyl)-6-aminohexanoic 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

4-(Benzyloxycarbonylamino)butyric acid5105-78-290 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-180 % similar Benzyloxycarbonylglycine1138-80-367 % similar 16-(Benzyloxy)-16-oxohexadecanoic acid146004-98-065 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-360 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-259 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-059 % similar N-(Benzyloxycarbonyl)-L-glutamic acid1155-62-058 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 Benzyloxycarbonyl-L-leucine2018-66-8

Elsewhere

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