2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid

C13H10N2O2 — CID 66911604

IUPAC2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid
SMILESO=C(O)CC1N=CC=C2C1=Nc1ccccc12
InChIInChI=1S/C13H10N2O2/c16-12(17)7-11-13-9(5-6-14-11)8-3-1-2-4-10(8)15-13/h1-6,11H,7H2,(H,16,17)
InChIKeyFHOHVHPNZDYMNL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid

2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid (PubChem CID 66911604) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid
PubChem CID66911604
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid
SMILESO=C(O)CC1N=CC=C2C1=Nc1ccccc12
InChIInChI=1S/C13H10N2O2/c16-12(17)7-11-13-9(5-6-14-11)8-3-1-2-4-10(8)15-13/h1-6,11H,7H2,(H,16,17)
InChIKeyFHOHVHPNZDYMNL-UHFFFAOYSA-N
XLogP2.08
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid?
The IUPAC name of 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid (CID 66911604) is 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid.
What is the SMILES notation for 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid?
The canonical SMILES for 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid is O=C(O)CC1N=CC=C2C1=Nc1ccccc12.
What is the InChIKey of 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid?
The InChIKey is FHOHVHPNZDYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12(17)7-11-13-9(5-6-14-11)8-3-1-2-4-10(8)15-13/h1-6,11H,7H2,(H,16,17).
What are the key properties of 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid?
2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid has a molecular weight of 226.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrido[3,4-b]indol-1-yl)acetic acid is sourced from PubChem (CID 66911604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).