2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid

C14H20N2O3 — CID 63779171

IUPAC2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
SMILESCCOC(CN1CCN(C)c2ccccc21)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-19-13(14(17)18)10-16-9-8-15(2)11-6-4-5-7-12(11)16/h4-7,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyYBXKLFHLOQHEHN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds5

About 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid

2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid (PubChem CID 63779171) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
PubChem CID63779171
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
SMILESCCOC(CN1CCN(C)c2ccccc21)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-19-13(14(17)18)10-16-9-8-15(2)11-6-4-5-7-12(11)16/h4-7,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyYBXKLFHLOQHEHN-UHFFFAOYSA-N
XLogP1.43
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 112561690
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-2-amine
CID 63777117
2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 106114846
2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 65247638
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
2-ethoxy-3-phenylpropanoic acid
CID 54403311
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
CID 63778227
ethyl 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoate
CID 64663497
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid (CID 63779171) is 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid is CCOC(CN1CCN(C)c2ccccc21)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid?
The InChIKey is YBXKLFHLOQHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13(14(17)18)10-16-9-8-15(2)11-6-4-5-7-12(11)16/h4-7,13H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid?
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 63779171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).