(αS)-α-Aminocyclohexaneacetic acid

C8H15NO2CAS 14328-51-9157.21 g/mol

Open in Covalent MOL file
H2NOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
Melting point
255 °C (decomposes)
logP
0.98Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
14328-51-9
SMILES
N[C@H](C(=O)O)C1CCCCC1
InChIKey
WAMWSIDTKSNDCU-ZETCQYMHSA-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)/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Cyclohexaneacetic acid, α-amino-, (αS)-
  • Cyclohexaneacetic acid, α-amino-, L-
  • Cyclohexaneacetic acid, α-amino-, (S)-
  • L-α-Cyclohexylglycine
  • (S)-2-Amino-2-cyclohexylacetic acid
  • (2S)-2-Amino-2-cyclohexylethanoic acid
  • L-Cyclohexylglycine
  • (2S)-2-Amino-2-cyclohexylacetic acid
  • (alphaS)-alpha-Aminocyclohexaneacetic acid

Work with (αS)-α-Aminocyclohexaneacetic 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.

D-Alpha-cyclohexylglycine14328-52-0Enantiomer Amino-cyclohexyl-acetic acid5664-29-9Stereo not defined

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 N-(Butoxymethyl)acrylamide1852-16-0

Elsewhere

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