1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, cis-
Basic information
- CAS
143356-46-1- Standard SMILES
O=C(O)C1Cc2c([nH]c3ccccc23)[C@H](CO)N1- InChIKey
LDAVCJCEEGGHMQ-DTIOYNMSSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, cis-
- IUPAC
- (1R)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- English name
- 1-hydroxymethyl-tetrahydro-beta-carboline-3-carboxylic acid
- Molecular formula
- C13H14N2O3
- Molecular weight
- 0
Names & synonyms
143356-46-11H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, cis-(1R)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acidDTXSID709318372,3,4,9-Tetrahydro-1-(hydroxymethyl)-1H-pyrido(3,4-b)indole-3-carboxylic acid cis-1-hydroxymethyl-tetrahydro-beta-carboline-3-carboxylic acid(1Ξ,3S)-1-hydroxymethyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid
Database identifiers
- CAS
143356-46-1- PubChem CID
- 126743
- DTXSID
DTXSID70931837
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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