2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid

C14H18N2O3 — CID 82157156

IUPAC2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCC(C)C1Nc2ccccc2N(C(C)C(=O)O)C1=O
InChIInChI=1S/C14H18N2O3/c1-8(2)12-13(17)16(9(3)14(18)19)11-7-5-4-6-10(11)15-12/h4-9,12,15H,1-3H3,(H,18,19)
InChIKeyVCGZHPVAUSHGSV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid

2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid (PubChem CID 82157156) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
PubChem CID82157156
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCC(C)C1Nc2ccccc2N(C(C)C(=O)O)C1=O
InChIInChI=1S/C14H18N2O3/c1-8(2)12-13(17)16(9(3)14(18)19)11-7-5-4-6-10(11)15-12/h4-9,12,15H,1-3H3,(H,18,19)
InChIKeyVCGZHPVAUSHGSV-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
CID 110832299
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157200
1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157186
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3381852
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157190
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoic acid
CID 2883102
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
CID 130205094
2-(6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid
CID 82142631
methyl (E)-3-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)phenyl]prop-2-enoate
CID 132584109
1,8-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623020

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The IUPAC name of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid (CID 82157156) is 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid is CC(C)C1Nc2ccccc2N(C(C)C(=O)O)C1=O.
What is the InChIKey of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The InChIKey is VCGZHPVAUSHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)12-13(17)16(9(3)14(18)19)11-7-5-4-6-10(11)15-12/h4-9,12,15H,1-3H3,(H,18,19).
What are the key properties of 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 82157156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).