2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid

C21H17N3O3 — CID 6235795

IUPAC2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C21H17N3O3/c1-12(21(26)27)22-20(25)17-11-15-14-9-5-6-10-16(14)23-19(15)18(24-17)13-7-3-2-4-8-13/h2-12,23H,1H3,(H,22,25)(H,26,27)
InChIKeyGKMBYFKDZMNKMW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.59
Rot. Bonds4

About 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid

2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid (PubChem CID 6235795) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
PubChem CID6235795
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C21H17N3O3/c1-12(21(26)27)22-20(25)17-11-15-14-9-5-6-10-16(14)23-19(15)18(24-17)13-7-3-2-4-8-13/h2-12,23H,1H3,(H,22,25)(H,26,27)
InChIKeyGKMBYFKDZMNKMW-UHFFFAOYSA-N
XLogP3.59
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]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

1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
2-[[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6216968
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 6235846
5-amino-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-5-oxopentanoic acid
CID 6235704
benzyl (2S)-4-methyl-2-[[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]pentanoate
CID 141266926
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
4-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-2-methyl-4-oxobutanoic acid
CID 159018259
2-[[1-(2,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 6217243
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid (CID 6235795) is 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid?
The InChIKey is GKMBYFKDZMNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-12(21(26)27)22-20(25)17-11-15-14-9-5-6-10-16(14)23-19(15)18(24-17)13-7-3-2-4-8-13/h2-12,23H,1H3,(H,22,25)(H,26,27).
What are the key properties of 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid?
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid has a molecular weight of 359.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 6235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).