chempirical

3-Aminocyclohexanecarboxylic acid

C7H13NO2CAS 25912-50-9143.19 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
0.59Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25912-50-9
SMILES
C1CC(CC(C1)N)C(=O)O
InChIKey
CKTUXQBZPWBFDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)

Weigh it out

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

Work with 3-Aminocyclohexanecarboxylic 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.

rac-(1R,3S)-3-Aminocyclohexane-1-carboxylic acid81131-40-0Defined stereoisomer

Similar compounds

(1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-478 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-578 % similar 3-Aminocyclopentanecarboxylic acid89614-96-078 % similar 1,3-Cyclohexanedicarboxylic acid3971-31-169 % similar 3-Aminocyclobutane-1-carboxylic acid74316-27-167 % similar 3-Hydroxycyclohexanecarboxylic acid606488-94-258 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-456 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-748 % similar

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

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropionitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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