1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid

C₁₂H₂₁NO₄CAS 115951-16-1243.30 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₁NO₄
Molar mass: 243.30 g/mol
Exact mass: 243.1471 Da
logP: 2.30Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

115951-16-1

SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)C(=O)O

InChIKey

URBHKVWOYIMKNO-UHFFFAOYSA-N

InChI

InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)

Weigh it out

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

Names and synonyms

1 names

1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid

Work with 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic 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-Boc-1-aminocyclobutanecarboxylic acid120728-10-191 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-167 % similar N-Boc-alpha-methyl-D-serine84311-18-256 % similar tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-250 % similar 4-Benzyloxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester288154-16-547 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-647 % similar Fmoc-cycloleucine117322-30-246 % similar tert-Butyl N-[1-(2-aminoethyl)cyclopropyl]carbamate753023-60-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 Methyl N-boc-piperidine-3-carboxylate148763-41-1 [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-5 tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-8 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-0

Elsewhere

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