L74Uzx8twj
Basic information
- CAS
98667-12-0- Standard SMILES
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](CO)N1- InChIKey
LDAVCJCEEGGHMQ-QWRGUYRKSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- L74Uzx8twj
- IUPAC
- (1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
L74UZX8TWJSCHEMBL10846514LDAVCJCEEGGHMQ-QWRGUYRKSA-N(1RS,3RS)-cis-1-Hydroxymethyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid1-(Hydroxymethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid, cis-2,3,4,9-Tetrahydro-1-(hydroxymethyl)-1H-pyrido[3,4-b]indole-3-carboxylic acid, cis-1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(hydroxymethyl)-, (1R,3S)-rel-98667-12-0rel-(1R,3S)-2,3,4,9-Tetrahydro-1-(hydroxymethyl)-1H-pyrido[3,4-b]indole-3-carboxylic acid
Database identifiers
- CAS
98667-12-0- PubChem CID
- 6997616
- UNII
- L74UZX8TWJ
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
1 records
Compound notes
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