L-Cyclohexylalanine

C₉H₁₇NO₂CAS 27527-05-5171.24 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₇NO₂
Molar mass: 171.24 g/mol
Exact mass: 171.1259 Da
logP: 1.37Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

27527-05-5

SMILES

C1CCC(CC1)C[C@@H](C(=O)O)N

InChIKey

ORQXBVXKBGUSBA-QMMMGPOBSA-N

InChI

InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

3-Cyclohexyl-L-alanine

Work with L-Cyclohexylalanine

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.

H-D-Cha-oh58717-02-5Enantiomer

Similar compounds

L-Cyclopropylalanine102735-53-581 % similar D-Cyclopropylalanine121786-39-881 % similar L-Homocyclohexyl alanine116622-38-972 % similar (R)-2-Amino-4-cyclohexylbutanoic acid728880-26-072 % similar Diaminopimelic acid583-93-761 % similar (±)-2-Aminooctanoic acid644-90-658 % similar 2-Aminohexadecanoic acid7769-79-158 % similar Polylysine25104-18-156 % similar

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

Same formula

trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-8 Ethyl N-piperidinylacetate23853-10-3 Ethyl 1-methylpiperidine-4-carboxylate24252-37-7 (Diethylamino)ethyl acrylate2426-54-2 (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid261896-39-3 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-2-piperidinecarboxylate30727-18-5

Elsewhere

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