5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid

C13H13N3O4 — CID 117439869

IUPAC5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C13H13N3O4/c17-11-12(18)16-10-3-6(1-2-8(10)15-11)9-4-7(5-14-9)13(19)20/h1-3,7,9,14H,4-5H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIAEUUQRTFKIRSG-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.05
Rot. Bonds2

About 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid

5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117439869) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117439869
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C13H13N3O4/c17-11-12(18)16-10-3-6(1-2-8(10)15-11)9-4-7(5-14-9)13(19)20/h1-3,7,9,14H,4-5H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyIAEUUQRTFKIRSG-UHFFFAOYSA-N
XLogP-0.05
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-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

5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
CID 117480696
5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
CID 117457954
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-(4-fluoro-3-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117463493
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid (CID 117439869) is 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1.
What is the InChIKey of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IAEUUQRTFKIRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-11-12(18)16-10-3-6(1-2-8(10)15-11)9-4-7(5-14-9)13(19)20/h1-3,7,9,14H,4-5H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid?
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).