H-D-Cha-oh

C9H17NO2CAS 58717-02-5171.24 g/mol

Open in Covalent MOL file
OHONH2
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
58717-02-5
SMILES
C1CCC(CC1)C[C@H](C(=O)O)N
InChIKey
ORQXBVXKBGUSBA-MRVPVSSYSA-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-/m1/s1

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Names and synonyms

1 names
  • (2R)-2-Amino-3-cyclohexylpropanoic acid

Work with H-D-Cha-oh

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.

L-Cyclohexylalanine27527-05-5Enantiomer

Similar compounds

3-Cyclopentane-L-alanine99295-82-696 % similar 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

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

Elsewhere

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