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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 154801442
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
4-iodo-3-[(1-phenylpyrrolidin-3-yl)carbamoyl]benzoic acid
CID 166396641
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenyl]propanoic acid
CID 154788548

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).