3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid

C12H12N2O2 — CID 82471434

IUPAC3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1cccnc1)n1cccc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h1-7,9,11H,8H2,(H,15,16)
InChIKeyYPKPWKYPVOAIOF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.95
Rot. Bonds4

About 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid

3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid (PubChem CID 82471434) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
PubChem CID82471434
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1cccnc1)n1cccc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h1-7,9,11H,8H2,(H,15,16)
InChIKeyYPKPWKYPVOAIOF-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
CID 116833952
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 43523812
4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
2,2-dipyridin-3-ylethanol
CID 57450821

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid?
The IUPAC name of 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid (CID 82471434) is 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid?
The canonical SMILES for 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid is O=C(O)CC(c1cccnc1)n1cccc1.
What is the InChIKey of 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid?
The InChIKey is YPKPWKYPVOAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)8-11(14-6-1-2-7-14)10-4-3-5-13-9-10/h1-7,9,11H,8H2,(H,15,16).
What are the key properties of 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid?
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 82471434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).