(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C15H13N3O6 — CID 119371445

IUPAC(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H13N3O6/c19-13-7-10(14(20)17-5-1-2-12(17)15(21)22)9-6-8(18(23)24)3-4-11(9)16-13/h3-4,6-7,12H,1-2,5H2,(H,16,19)(H,21,22)/t12-/m1/s1
InChIKeyFRJCEOWWOJKFQA-GFCCVEGCSA-N
MW331.28 g/mol
LogP1.13
Rot. Bonds3

About (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119371445) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119371445
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H13N3O6/c19-13-7-10(14(20)17-5-1-2-12(17)15(21)22)9-6-8(18(23)24)3-4-11(9)16-13/h3-4,6-7,12H,1-2,5H2,(H,16,19)(H,21,22)/t12-/m1/s1
InChIKeyFRJCEOWWOJKFQA-GFCCVEGCSA-N
XLogP1.13
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.13
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'}

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Related Compounds

1-(2-chloro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 43387148
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
1-(2-bromo-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 119356874
4-[3-(methylamino)piperidine-1-carbonyl]-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119492199
4-(1,4-diazepane-1-carbonyl)-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119417546
methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
CID 86937433
2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119203411
1-[2-(2-chloro-4-nitrophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356559
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
(2S)-1-(5-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 28741339

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119371445) is (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FRJCEOWWOJKFQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13N3O6/c19-13-7-10(14(20)17-5-1-2-12(17)15(21)22)9-6-8(18(23)24)3-4-11(9)16-13/h3-4,6-7,12H,1-2,5H2,(H,16,19)(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 331.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).