1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1,2-dimethyl-, (1S-cis)-
Basic information
- CAS
54193-05-4- Standard SMILES
C[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C- InChIKey
TWPZAUPPRSQWBA-UFBFGSQYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1,2-dimethyl-, (1S-cis)-
- IUPAC
- (1S,3S)-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1,2-dimethyl-, (1S-cis)-54193-05-4(1S-cis)-2,3,4,9-Tetrahydro-1,2-dimethyl-1H-pyrido(3,4-b)indole-3-carboxylic acidDTXSID20202544(1S,3S)-1,2-Dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Database identifiers
- CAS
54193-05-4- PubChem CID
- 148668
- DTXSID
DTXSID20202544
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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