4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid

C₁₅H₁₉NO₄CAS 34771-04-5277.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₅H₁₉NO₄
Molar mass: 277.32 g/mol
Exact mass: 277.1314 Da
logP: 2.56Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

34771-04-5

SMILES

C1CC(CCC1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChIKey

ZVMICQYOGWAOSU-UHFFFAOYSA-N

InChI

InChI=1S/C15H19NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)

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Names and synonyms

1 names

trans-4-(Carbobenzoxyamino)cyclohexanecarboxylic acid

Work with 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic 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-Cbz-4-hydroxycyclohexane16801-62-069 % similar N-Cbz-D-alanine26607-51-266 % similar 1-N-Cbz-trans-1,4-cyclohexyldiamine149423-77-865 % similar Cbz-D-valine1685-33-263 % similar 4-N-Cbz-cyclohexanone16801-63-163 % similar Z-D-Gln-oh13139-52-161 % similar N-Carbobenzoxy-dl-norleucine15027-13-161 % similar N-Alpha-Benzyloxycarbonyl-L-ornithine2640-58-661 % similar

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

Same formula

Boc-D-tic-oh115962-35-1 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-7 Methyl N-Cbz-piperidine-3-carboxylate174543-74-9 1-[(Benzyloxy)carbonyl]-4-methylpiperidine-4-carboxylic acid203522-12-7 N,N,O-Triglycidyl-P-aminophenol5026-74-4

Elsewhere

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