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

C12H13NO3 — CID 16789776

IUPAC3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13NO3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16/h1-4H,5-8H2,(H,15,16)
InChIKeyYBSBSZPGEZVFTN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.44
Rot. Bonds3

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

3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (PubChem CID 16789776) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
PubChem CID16789776
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H13NO3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16/h1-4H,5-8H2,(H,15,16)
InChIKeyYBSBSZPGEZVFTN-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid (CID 16789776) is 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is O=C(O)CCN1C(=O)CCc2ccccc21.
What is the InChIKey of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
The InChIKey is YBSBSZPGEZVFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-6-5-9-3-1-2-4-10(9)13(11)8-7-12(15)16/h1-4H,5-8H2,(H,15,16).
What are the key properties of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid?
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid is sourced from PubChem (CID 16789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).