3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid

C19H21N3O3 — CID 166254864

IUPAC3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)NC1CCN(c2cccnc2)C1
InChIInChI=1S/C19H21N3O3/c23-18(24)8-7-14-4-1-2-6-17(14)19(25)21-15-9-11-22(13-15)16-5-3-10-20-12-16/h1-6,10,12,15H,7-9,11,13H2,(H,21,25)(H,23,24)
InChIKeyZVYHPYJUAVJJLF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.11
Rot. Bonds6

About 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid

3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid (PubChem CID 166254864) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid
PubChem CID166254864
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)NC1CCN(c2cccnc2)C1
InChIInChI=1S/C19H21N3O3/c23-18(24)8-7-14-4-1-2-6-17(14)19(25)21-15-9-11-22(13-15)16-5-3-10-20-12-16/h1-6,10,12,15H,7-9,11,13H2,(H,21,25)(H,23,24)
InChIKeyZVYHPYJUAVJJLF-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid (CID 166254864) is 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid is O=C(O)CCc1ccccc1C(=O)NC1CCN(c2cccnc2)C1.
What is the InChIKey of 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid?
The InChIKey is ZVYHPYJUAVJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(24)8-7-14-4-1-2-6-17(14)19(25)21-15-9-11-22(13-15)16-5-3-10-20-12-16/h1-6,10,12,15H,7-9,11,13H2,(H,21,25)(H,23,24).
What are the key properties of 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid?
3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid has a molecular weight of 339.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-pyridin-3-ylpyrrolidin-3-yl)carbamoyl]phenyl]propanoic acid is sourced from PubChem (CID 166254864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).