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

C12H11NO3 — CID 11106811

IUPAC3-(4-oxo-1H-quinolin-2-yl)propanoic acid
SMILESO=C(O)CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H11NO3/c14-11-7-8(5-6-12(15)16)13-10-4-2-1-3-9(10)11/h1-4,7H,5-6H2,(H,13,14)(H,15,16)
InChIKeyWXZSMBBCBYKXPD-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.55
Rot. Bonds3

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

3-(4-oxo-1H-quinolin-2-yl)propanoic acid (PubChem CID 11106811) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(4-oxo-1H-quinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-1H-quinolin-2-yl)propanoic acid
PubChem CID11106811
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-(4-oxo-1H-quinolin-2-yl)propanoic acid
SMILESO=C(O)CCc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H11NO3/c14-11-7-8(5-6-12(15)16)13-10-4-2-1-3-9(10)11/h1-4,7H,5-6H2,(H,13,14)(H,15,16)
InChIKeyWXZSMBBCBYKXPD-UHFFFAOYSA-N
XLogP1.55
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1H-quinolin-2-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-1H-quinolin-2-yl)propanoic acid (CID 11106811) is 3-(4-oxo-1H-quinolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-1H-quinolin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-1H-quinolin-2-yl)propanoic acid is O=C(O)CCc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 3-(4-oxo-1H-quinolin-2-yl)propanoic acid?
The InChIKey is WXZSMBBCBYKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-7-8(5-6-12(15)16)13-10-4-2-1-3-9(10)11/h1-4,7H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 3-(4-oxo-1H-quinolin-2-yl)propanoic acid?
3-(4-oxo-1H-quinolin-2-yl)propanoic acid has a molecular weight of 217.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1H-quinolin-2-yl)propanoic acid is sourced from PubChem (CID 11106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).