2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid

C16H15N3O6 — CID 119203411

IUPAC2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12)C1CC1
InChIInChI=1S/C16H15N3O6/c1-8(16(22)23)18(9-2-3-9)15(21)12-7-14(20)17-13-5-4-10(19(24)25)6-11(12)13/h4-9H,2-3H2,1H3,(H,17,20)(H,22,23)
InChIKeyIOMRRMZIHNLJRD-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.51
Rot. Bonds5

About 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid

2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid (PubChem CID 119203411) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
PubChem CID119203411
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12)C1CC1
InChIInChI=1S/C16H15N3O6/c1-8(16(22)23)18(9-2-3-9)15(21)12-7-14(20)17-13-5-4-10(19(24)25)6-11(12)13/h4-9H,2-3H2,1H3,(H,17,20)(H,22,23)
InChIKeyIOMRRMZIHNLJRD-UHFFFAOYSA-N
XLogP1.51
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-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

2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 120519111
2-[(2-bromo-4-nitrobenzoyl)-cyclopropylamino]propanoic acid
CID 122067176
3-[2-methylpropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119190683
N-(3-amino-4-methylpentyl)-N-methyl-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 119660307
N-ethyl-6-nitro-2-oxo-N-[[(3R)-oxolan-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 95619761
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371445
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083
2-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547522
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119492199
5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
CID 119235210

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid (CID 119203411) is 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is IOMRRMZIHNLJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-8(16(22)23)18(9-2-3-9)15(21)12-7-14(20)17-13-5-4-10(19(24)25)6-11(12)13/h4-9H,2-3H2,1H3,(H,17,20)(H,22,23).
What are the key properties of 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 345.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119203411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).