chempirical

(R)-2-Amino-4-cyclohexylbutanoic acid

C10H19NO2CAS 728880-26-0185.27 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H19NO2
Molar mass
185.27 g/mol
Exact mass
185.1416 Da
logP
1.76Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
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
728880-26-0
SMILES
C1CCC(CC1)CC[C@H](C(=O)O)N
InChIKey
MXHKOHWUQAULOV-SECBINFHSA-N
InChI
InChI=1S/C10H19NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m1/s1

Weigh it out

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

Work with (R)-2-Amino-4-cyclohexylbutanoic 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.

L-Homocyclohexyl alanine116622-38-9Enantiomer

Similar compounds

L-Cyclohexylalanine27527-05-572 % similar H-D-Cha-oh58717-02-572 % similar Diaminopimelic acid583-93-767 % similar (±)-2-Aminooctanoic acid644-90-663 % similar 2-Aminohexadecanoic acid7769-79-163 % similar L-Cyclopropylalanine102735-53-562 % similar D-Cyclopropylalanine121786-39-862 % similar Polylysine25104-18-161 % similar

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

Same formula

Diethylaminoethyl methacrylate105-16-8 tert-Butyl Piperidine-4-carboxylate138007-24-6 Ethyl 1-piperidinepropanoate19653-33-9 tert-Butylaminoethyl methacrylate3775-90-4 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-8

Elsewhere

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