(3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid

C₉H₁₇NO₂CAS 261896-40-6171.24 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₉H₁₇NO₂
Molar mass: 171.24 g/mol
Exact mass: 171.1259 Da
logP: 0.95Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

261896-40-6

SMILES

CC(C)C[C@@H]1CNC[C@H]1C(=O)O

InChIKey

WPLPJEWZNOILAV-HTQZYQBOSA-N

InChI

InChI=1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m1/s1

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Names and synonyms

1 names

3-Pyrrolidinecarboxylic acid, 4-(2-methylpropyl)-, (3S,4S)-

Work with (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic 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

Same formula

Ethyl N-piperidinylacetate23853-10-3 (Diethylamino)ethyl acrylate2426-54-2 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-2-piperidinecarboxylate30727-18-5 Ethyl 1-methyl-3-piperidinecarboxylate5166-67-6 Gabapentin60142-96-3 Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-3 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-9

Elsewhere

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