chempirical

4-Aminocyclohexanecarboxylic acid

C7H13NO2CAS 1776-53-0143.19 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
Melting point
260 °C
logP
0.59Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1776-53-0
SMILES
NC1CCC(C(=O)O)CC1
InChIKey
DRNGLYHKYPNTEA-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)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.

Names and synonyms

3 names
  • Cyclohexanecarboxylic acid, 4-amino-
  • 4-Aminocyclohexylcarboxylic acid
  • 4-Amino-1-cyclohexanecarboxylic acid

Work with 4-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

Similar compounds

(1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-476 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-576 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-771 % similar 1,4-Cyclohexanedicarboxylic acid619-81-871 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-971 % similar Cyclopentanecarboxylic acid3400-45-158 % similar Cyclobutanecarboxylic acid3721-95-758 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-458 % 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 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro[4.5]decane177-11-7 3,3-Diethoxypropionitrile2032-34-0 Dimethylaminoethyl acrylate2439-35-2 (αS)-α-Aminocyclopentaneacetic acid2521-84-8 (αR)-α-Aminocyclopentaneacetic acid2521-86-0

Elsewhere

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