3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid

C12H12N2O3 — CID 62374383

IUPAC3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
SMILESCc1nc2ccccc2n(CCC(=O)O)c1=O
InChIInChI=1S/C12H12N2O3/c1-8-12(17)14(7-6-11(15)16)10-5-3-2-4-9(10)13-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyRRTIHTQHRVOQGL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds3

About 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid

3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid (PubChem CID 62374383) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
PubChem CID62374383
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
SMILESCc1nc2ccccc2n(CCC(=O)O)c1=O
InChIInChI=1S/C12H12N2O3/c1-8-12(17)14(7-6-11(15)16)10-5-3-2-4-9(10)13-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyRRTIHTQHRVOQGL-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
N-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324354
3-[2-(1-hydroxy-2-methylpropan-2-yl)benzimidazol-1-yl]propanoic acid
CID 55111666

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid (CID 62374383) is 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid is Cc1nc2ccccc2n(CCC(=O)O)c1=O.
What is the InChIKey of 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid?
The InChIKey is RRTIHTQHRVOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-12(17)14(7-6-11(15)16)10-5-3-2-4-9(10)13-8/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid?
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 62374383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).