chempirical

H-D-Cha-oh

C9H17NO2CAS 58717-02-5171.24 g/mol

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OOHNH2
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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

Elsewhere

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