3-quinolin-5-ylpropanoic acid

C12H11NO2 — CID 81224223

IUPAC3-quinolin-5-ylpropanoic acid
SMILESO=C(O)CCc1cccc2ncccc12
InChIInChI=1S/C12H11NO2/c14-12(15)7-6-9-3-1-5-11-10(9)4-2-8-13-11/h1-5,8H,6-7H2,(H,14,15)
InChIKeyZYPNJYVATBRGFQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.25
Rot. Bonds3

About 3-quinolin-5-ylpropanoic acid

3-quinolin-5-ylpropanoic acid (PubChem CID 81224223) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-quinolin-5-ylpropanoic acid.

Molecular Properties

Compound Name3-quinolin-5-ylpropanoic acid
PubChem CID81224223
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-quinolin-5-ylpropanoic acid
SMILESO=C(O)CCc1cccc2ncccc12
InChIInChI=1S/C12H11NO2/c14-12(15)7-6-9-3-1-5-11-10(9)4-2-8-13-11/h1-5,8H,6-7H2,(H,14,15)
InChIKeyZYPNJYVATBRGFQ-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3-methyl-5-quinolin-5-ylphenyl)propanoic acid
CID 137137060
3-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119351290
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
ethane;5-ethylquinoline
CID 143401043
2-amino-5-quinolin-5-ylpentanamide
CID 174575975
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 79235628
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
2-(5-quinolin-5-ylfuran-2-yl)acetic acid
CID 171059952
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-5-ylpropanoic acid?
The IUPAC name of 3-quinolin-5-ylpropanoic acid (CID 81224223) is 3-quinolin-5-ylpropanoic acid.
What is the SMILES notation for 3-quinolin-5-ylpropanoic acid?
The canonical SMILES for 3-quinolin-5-ylpropanoic acid is O=C(O)CCc1cccc2ncccc12.
What is the InChIKey of 3-quinolin-5-ylpropanoic acid?
The InChIKey is ZYPNJYVATBRGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)7-6-9-3-1-5-11-10(9)4-2-8-13-11/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of 3-quinolin-5-ylpropanoic acid?
3-quinolin-5-ylpropanoic acid has a molecular weight of 201.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-5-ylpropanoic acid is sourced from PubChem (CID 81224223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).