2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

C13H14N2O2 — CID 83756423

IUPAC2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCN1CCc2c([nH]c3ccccc23)C1C(=O)O
InChIInChI=1S/C13H14N2O2/c1-15-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13(16)17/h2-5,12,14H,6-7H2,1H3,(H,16,17)
InChIKeyRLEMDLBASZTIIE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds1

About 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (PubChem CID 83756423) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
PubChem CID83756423
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCN1CCc2c([nH]c3ccccc23)C1C(=O)O
InChIInChI=1S/C13H14N2O2/c1-15-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13(16)17/h2-5,12,14H,6-7H2,1H3,(H,16,17)
InChIKeyRLEMDLBASZTIIE-UHFFFAOYSA-N
XLogP1.78
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,9-tetrahydropyrido[3,4-b]indole-1,2-dicarboxylic acid
CID 90810083
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
2-(4-tert-butylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 25118876
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
CID 84694454
(1R)-1-methyl-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 975742
(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl) acetate
CID 67696379
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
1-[(1S)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92730348
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylic acid
CID 19868835
6-hydroxy-1-iodo-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione
CID 4837712
(4-methylphenyl)-[(1R)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 40544446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The IUPAC name of 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (CID 83756423) is 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The canonical SMILES for 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is CN1CCc2c([nH]c3ccccc23)C1C(=O)O.
What is the InChIKey of 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The InChIKey is RLEMDLBASZTIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13(16)17/h2-5,12,14H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 83756423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).