4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid

C11H10N2O5 — CID 112577479

IUPAC4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)CN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C11H10N2O5/c14-8-4-13(5-9(15)16)10-6(11(17)18)2-1-3-7(10)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyJXLZXPZAJGSZJC-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.23
Rot. Bonds3

About 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid

4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (PubChem CID 112577479) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
PubChem CID112577479
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)CN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C11H10N2O5/c14-8-4-13(5-9(15)16)10-6(11(17)18)2-1-3-7(10)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyJXLZXPZAJGSZJC-UHFFFAOYSA-N
XLogP0.23
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577501
2-(6-chloro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 84635462
2-[5,11-bis(carboxymethyl)-3,13-dioxo-2,5,8,11,14-pentazabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl]acetic acid
CID 102522219
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088
2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-6-carboxylic acid
CID 115933758
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
CID 112577448
2-(3-oxo-2,4-dihydropyrido[2,3-b]pyrazin-1-yl)acetic acid
CID 83848433
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
2-(10-oxo-3,9-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-yl)acetic acid
CID 59257860

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (CID 112577479) is 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is O=C(O)CN1CC(=O)Nc2cccc(C(=O)O)c21.
What is the InChIKey of 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is JXLZXPZAJGSZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-8-4-13(5-9(15)16)10-6(11(17)18)2-1-3-7(10)12-8/h1-3H,4-5H2,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 112577479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).