3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 63145188

IUPAC3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C15H20N2O3/c1-2-6-15(14(19)20)7-9-17(11-15)13(18)10-12-5-3-4-8-16-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,19,20)
InChIKeyTYCCLXDNASFKOV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.73
Rot. Bonds5

About 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid

3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 63145188) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID63145188
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C15H20N2O3/c1-2-6-15(14(19)20)7-9-17(11-15)13(18)10-12-5-3-4-8-16-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,19,20)
InChIKeyTYCCLXDNASFKOV-UHFFFAOYSA-N
XLogP1.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic 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

3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 92591973
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
1-(3-phenylprop-2-ynoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145426
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid (CID 63145188) is 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is TYCCLXDNASFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-6-15(14(19)20)7-9-17(11-15)13(18)10-12-5-3-4-8-16-12/h3-5,8H,2,6-7,9-11H2,1H3,(H,19,20).
What are the key properties of 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid?
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).