2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid

C16H15N3O4 — CID 150196014

IUPAC2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12)C(=O)O
InChIInChI=1S/C16H15N3O4/c1-8(16(22)23)6-18-14(20)10-7-17-13-12(10)9-4-2-3-5-11(9)19-15(13)21/h2-5,7-8,17H,6H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFOLVQZJTSPYHRH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid

2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid (PubChem CID 150196014) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid
PubChem CID150196014
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12)C(=O)O
InChIInChI=1S/C16H15N3O4/c1-8(16(22)23)6-18-14(20)10-7-17-13-12(10)9-4-2-3-5-11(9)19-15(13)21/h2-5,7-8,17H,6H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFOLVQZJTSPYHRH-UHFFFAOYSA-N
XLogP1.46
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 157120624
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(3-methyl-2-oxobutyl)-1H-indole-3-carboxamide
CID 59531603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid (CID 150196014) is 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid is CC(CNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12)C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid?
The InChIKey is FOLVQZJTSPYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-8(16(22)23)6-18-14(20)10-7-17-13-12(10)9-4-2-3-5-11(9)19-15(13)21/h2-5,7-8,17H,6H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid?
2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid has a molecular weight of 313.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 150196014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).