Amino-cyclohexyl-acetic acid

C₈H₁₅NO₂CAS 5664-29-9157.21 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₁₅NO₂
Molar mass: 157.21 g/mol
Exact mass: 157.1103 Da
logP: 0.98Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

5664-29-9

SMILES

C1CCC(CC1)C(C(=O)O)N

InChIKey

WAMWSIDTKSNDCU-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

Cyclohexylglycine, (+-)-

Work with Amino-cyclohexyl-acetic 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.

(αS)-α-Aminocyclohexaneacetic acid14328-51-9Defined stereoisomer D-Alpha-cyclohexylglycine14328-52-0Defined stereoisomer

Similar compounds

(αS)-α-Aminocyclopentaneacetic acid2521-84-896 % similar (αR)-α-Aminocyclopentaneacetic acid2521-86-096 % similar α-Aminocyclobutaneacetic acid28024-69-388 % similar (2R)-2-Amino-2-cyclobutylacetic acid49607-10-588 % similar L-Cyclopropylglycine49606-99-779 % similar D-Cyclopropylglycine49607-01-479 % similar 4'-Tetrahydropyranylglycine53284-84-766 % similar (S)-2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid811842-25-866 % similar

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

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 Ethyl 2-piperidinecarboxylate15862-72-3 Methyl 4-piperidineacetate168986-49-0 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1

Elsewhere

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