2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid

C14H16N2O4 — CID 64583291

IUPAC2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(17)15-11(14(19)20)8-16-12-5-3-2-4-10(12)6-7-13(16)18/h2-5,11H,6-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyZTVMDLOFMNITCE-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.56
Rot. Bonds4

About 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid

2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (PubChem CID 64583291) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
PubChem CID64583291
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESCC(=O)NC(CN1C(=O)CCc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-9(17)15-11(14(19)20)8-16-12-5-3-2-4-10(12)6-7-13(16)18/h2-5,11H,6-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyZTVMDLOFMNITCE-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
(E)-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]hex-4-enoic acid
CID 120694245
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119212127
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]-3-propan-2-ylurea
CID 110748751
ethyl 3-hydroxy-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoate
CID 82778791
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
(2S)-2-[methyl-[4-(2-oxo-3,4-dihydroquinolin-1-yl)butanoyl]amino]propanoic acid
CID 125419117
1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 104747147

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (CID 64583291) is 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is CC(=O)NC(CN1C(=O)CCc2ccccc21)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The InChIKey is ZTVMDLOFMNITCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(17)15-11(14(19)20)8-16-12-5-3-2-4-10(12)6-7-13(16)18/h2-5,11H,6-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is sourced from PubChem (CID 64583291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).