3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid

C11H9N3O5 — CID 62231775

IUPAC3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H9N3O5/c15-8(4-9(16)17)12-5-1-2-6-7(3-5)14-11(19)10(18)13-6/h1-3H,4H2,(H,12,15)(H,13,18)(H,14,19)(H,16,17)
InChIKeyHNCUICFMLLOHTG-UHFFFAOYSA-N
MW263.21 g/mol
LogP-0.37
Rot. Bonds3

About 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid

3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid (PubChem CID 62231775) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
PubChem CID62231775
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC Name3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H9N3O5/c15-8(4-9(16)17)12-5-1-2-6-7(3-5)14-11(19)10(18)13-6/h1-3H,4H2,(H,12,15)(H,13,18)(H,14,19)(H,16,17)
InChIKeyHNCUICFMLLOHTG-UHFFFAOYSA-N
XLogP-0.37
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
CID 107908877
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide
CID 115452525
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
N-ethyl-N'-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)propanediamide
CID 99637430
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
CID 24661375
2-tert-butylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 34828406

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid (CID 62231775) is 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid is O=C(O)CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid?
The InChIKey is HNCUICFMLLOHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5/c15-8(4-9(16)17)12-5-1-2-6-7(3-5)14-11(19)10(18)13-6/h1-3H,4H2,(H,12,15)(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid?
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid has a molecular weight of 263.21 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62231775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).