3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid

C15H14N2O2 — CID 163194102

IUPAC3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid
SMILESCn1ccc2c3ccccc3nc-2c1CCC(=O)O
InChIInChI=1S/C15H14N2O2/c1-17-9-8-11-10-4-2-3-5-12(10)16-15(11)13(17)6-7-14(18)19/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyLMPHSWUZZZSQMC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid

3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid (PubChem CID 163194102) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid
PubChem CID163194102
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid
SMILESCn1ccc2c3ccccc3nc-2c1CCC(=O)O
InChIInChI=1S/C15H14N2O2/c1-17-9-8-11-10-4-2-3-5-12(10)16-15(11)13(17)6-7-14(18)19/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyLMPHSWUZZZSQMC-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic 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

Indole-3-Acetic Acid
CID 802
Indoximod
CID 405012
1-Methyl-L-tryptophan
CID 676159
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
3-(9H-pyrido(3,4-b)indol-1-yl)propanoic acid
CID 5375436
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600
2-[1-(4-fluorobenzyl)-1H-indol-3-yl]acetic acid
CID 2774436
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
1-Methyltryptophan
CID 98112
2-(1-methyl-1H-indol-3-yl)succinic acid
CID 2946636
5-(2-Methyl-3-(pyridin-3-yl)-1H-indol-1-yl)pentanoic acid
CID 9926621
2-(1H-indol-3-yl)propanoic acid
CID 10899423

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid?
The IUPAC name of 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid (CID 163194102) is 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid is Cn1ccc2c3ccccc3nc-2c1CCC(=O)O.
What is the InChIKey of 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid?
The InChIKey is LMPHSWUZZZSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17-9-8-11-10-4-2-3-5-12(10)16-15(11)13(17)6-7-14(18)19/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid?
3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrido[3,4-b]indol-1-yl)propanoic acid is sourced from PubChem (CID 163194102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).