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

C15H18N2O4 — CID 62930547

IUPAC5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,8-12(18)19)6-5-9-3-4-10-11(7-9)17-14(21)13(20)16-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyUAWJQLMDSZEMQZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.65
Rot. Bonds5

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

5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid (PubChem CID 62930547) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid
PubChem CID62930547
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,8-12(18)19)6-5-9-3-4-10-11(7-9)17-14(21)13(20)16-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyUAWJQLMDSZEMQZ-UHFFFAOYSA-N
XLogP1.65
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid with MolForge

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Related Compounds

6-(2-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 83674045
5-(4-iodophenyl)-3,3-dimethylpentanoic acid
CID 62930555
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethylpentanoic acid
CID 62930551
3,3-dimethyl-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 63535833
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
6-(hydroxymethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 60757880
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid?
The IUPAC name of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid (CID 62930547) is 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid is CC(C)(CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1)CC(=O)O.
What is the InChIKey of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid?
The InChIKey is UAWJQLMDSZEMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,8-12(18)19)6-5-9-3-4-10-11(7-9)17-14(21)13(20)16-10/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid?
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3,3-dimethylpentanoic acid is sourced from PubChem (CID 62930547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).