1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid

C12H12N2O5 — CID 117031163

IUPAC1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
SMILESO=C(O)CCN1C(=O)CNc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H12N2O5/c15-10-6-13-8-5-7(12(18)19)1-2-9(8)14(10)4-3-11(16)17/h1-2,5,13H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyKZRYWZYGKGURQF-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.62
Rot. Bonds4

About 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid

1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid (PubChem CID 117031163) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
PubChem CID117031163
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
SMILESO=C(O)CCN1C(=O)CNc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H12N2O5/c15-10-6-13-8-5-7(12(18)19)1-2-9(8)14(10)4-3-11(16)17/h1-2,5,13H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyKZRYWZYGKGURQF-UHFFFAOYSA-N
XLogP0.62
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyanomethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
CID 117031167
1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711203
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
1-(3-oxobutyl)-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117031268
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
2-(2-carboxyethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163503
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 117031491
4-heptyl-3-oxo-1,4-benzoxazine-7-carboxylic acid
CID 82025318
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid (CID 117031163) is 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid is O=C(O)CCN1C(=O)CNc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is KZRYWZYGKGURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-10-6-13-8-5-7(12(18)19)1-2-9(8)14(10)4-3-11(16)17/h1-2,5,13H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid?
1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 117031163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).