2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid

C15H20N2O3 — CID 82157309

IUPAC2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCc1cc2c(cc1C)N(C(C)(C)C(=O)O)C(=O)C(C)N2
InChIInChI=1S/C15H20N2O3/c1-8-6-11-12(7-9(8)2)17(13(18)10(3)16-11)15(4,5)14(19)20/h6-7,10,16H,1-5H3,(H,19,20)
InChIKeyFECZPSOLDMSUKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid

2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid (PubChem CID 82157309) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
PubChem CID82157309
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCc1cc2c(cc1C)N(C(C)(C)C(=O)O)C(=O)C(C)N2
InChIInChI=1S/C15H20N2O3/c1-8-6-11-12(7-9(8)2)17(13(18)10(3)16-11)15(4,5)14(19)20/h6-7,10,16H,1-5H3,(H,19,20)
InChIKeyFECZPSOLDMSUKT-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid (CID 82157309) is 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid is Cc1cc2c(cc1C)N(C(C)(C)C(=O)O)C(=O)C(C)N2.
What is the InChIKey of 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The InChIKey is FECZPSOLDMSUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8-6-11-12(7-9(8)2)17(13(18)10(3)16-11)15(4,5)14(19)20/h6-7,10,16H,1-5H3,(H,19,20).
What are the key properties of 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid?
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 82157309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).