L-Homocyclohexyl alanine

C₁₀H₁₉NO₂CAS 116622-38-9185.27 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

116622-38-9

SMILES

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

InChIKey

MXHKOHWUQAULOV-VIFPVBQESA-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-/m0/s1

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

Names and synonyms

1 names

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

Work with L-Homocyclohexyl alanine

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

Similar compounds

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 L-Lysine56-87-161 % similar Lysine70-54-261 % 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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