Basic information
- CAS
42438-72-2- Standard SMILES
C[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21- InChIKey
ZUPHXNBLQCSEIA-HQJQHLMTSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Overview
2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, (1R,3S)- has been reported in Lepidium meyenii with data available.
Names & identifiers
- Preferred name
- 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-B)indole-3-carboxylic acid, trans-(-)-
- IUPAC
- (1R,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
QM1A4NN0561H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 2,3,4,9-TETRAHYDRO-1-METHYL-, (1R,3S)-2,3,4,9-TETRAHYDRO-1-METHYL-1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, TRANS-(-)-RefChem:25884(1r,3s)-1-methyltetrahydro-beta-carboline-3-carboxylic acid1-METHYLTETRAHYDRO-beta-CARBOLINE-3-CARBOXYLIC ACID, (1R,3S)-42438-72-20QGP5V5JATCHEMBL4212580(1R,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, (1R,3S)-1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1R-trans)-
Show more names
(1r,3s)-1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1R,3S)-rel-1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, trans-(+/-)-2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, trans-98718-62-8UNII-QM1A4NN056UNII-0QGP5V5JATSCHEMBL4762341
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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