(2S,3As,7as)-octahydroindole-2-carboxylic acid

C₉H₁₅NO₂CAS 80875-98-5169.22 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Secondary Amine

Properties

Molecular formula: C₉H₁₅NO₂
Molar mass: 169.22 g/mol
Exact mass: 169.1103 Da
Melting point: 267–269 °C
logP: 0.99Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

80875-98-5

SMILES

O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

InChIKey

CQYBNXGHMBNGCG-FXQIFTODSA-N

InChI

InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1

Weigh it out

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

Names and synonyms

5 names

1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aS)-
1H-Indole-2-carboxylic acid, octahydro-, [2S-(2α,3aβ,7aβ)]-
(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
(2S,3AS,7aS)-2-carboxyoctahydroindole
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid

Work with (2S,3As,7as)-octahydroindole-2-carboxylic 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

N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-4 N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-1 Aceclidine827-61-2

Elsewhere

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