3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid

C12H13NO3 — CID 3464440

IUPAC3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid
SMILESO=C(O)CCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO3/c14-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)13-11/h1-4,8H,5-7H2,(H,13,14)(H,15,16)
InChIKeyVGGFTZNFNWIIMG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.98
Rot. Bonds3

About 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid

3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid (PubChem CID 3464440) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid
PubChem CID3464440
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid
SMILESO=C(O)CCC1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H13NO3/c14-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)13-11/h1-4,8H,5-7H2,(H,13,14)(H,15,16)
InChIKeyVGGFTZNFNWIIMG-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid (CID 3464440) is 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid is O=C(O)CCC1CC(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid?
The InChIKey is VGGFTZNFNWIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)13-11/h1-4,8H,5-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid?
3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanoic acid is sourced from PubChem (CID 3464440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).