5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid

C13H11N3O4 — CID 168692180

IUPAC5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3ccc(=O)[nH]c3n2)C1
InChIInChI=1S/C13H11N3O4/c17-10-4-2-7-1-3-9(14-12(7)15-10)16-6-8(13(19)20)5-11(16)18/h1-4,8H,5-6H2,(H,19,20)(H,14,15,17)
InChIKeyRAHDMBLZAVAFKV-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.36
Rot. Bonds2

About 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 168692180) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID168692180
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3ccc(=O)[nH]c3n2)C1
InChIInChI=1S/C13H11N3O4/c17-10-4-2-7-1-3-9(14-12(7)15-10)16-6-8(13(19)20)5-11(16)18/h1-4,8H,5-6H2,(H,19,20)(H,14,15,17)
InChIKeyRAHDMBLZAVAFKV-UHFFFAOYSA-N
XLogP0.36
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic 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

7-(4-ethynyl-2-oxopyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168502761
S-[[5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668754
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 82500720
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693538
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692144
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696114
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691028

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid (CID 168692180) is 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc3ccc(=O)[nH]c3n2)C1.
What is the InChIKey of 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RAHDMBLZAVAFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-10-4-2-7-1-3-9(14-12(7)15-10)16-6-8(13(19)20)5-11(16)18/h1-4,8H,5-6H2,(H,19,20)(H,14,15,17).
What are the key properties of 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(7-oxo-8H-1,8-naphthyridin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).