2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

C15H16N2O3 — CID 107936794

IUPAC2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccccc1C#N
InChIInChI=1S/C15H16N2O3/c1-2-7-17-13(18)8-12(15(19)20)14(17)11-6-4-3-5-10(11)9-16/h3-6,12,14H,2,7-8H2,1H3,(H,19,20)
InChIKeyVITNQRFGJVKXBW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.94
Rot. Bonds4

About 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid

2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 107936794) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
PubChem CID107936794
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1C(=O)CC(C(=O)O)C1c1ccccc1C#N
InChIInChI=1S/C15H16N2O3/c1-2-7-17-13(18)8-12(15(19)20)14(17)11-6-4-3-5-10(11)9-16/h3-6,12,14H,2,7-8H2,1H3,(H,19,20)
InChIKeyVITNQRFGJVKXBW-UHFFFAOYSA-N
XLogP1.94
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
2-(3-bromothiophen-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 113298293
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
3-(2-cyanophenyl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114018048
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 104823672
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
(2R,3R)-2-(3-cyanophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 95598832
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 122155895

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid (CID 107936794) is 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is CCCN1C(=O)CC(C(=O)O)C1c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is VITNQRFGJVKXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-7-17-13(18)8-12(15(19)20)14(17)11-6-4-3-5-10(11)9-16/h3-6,12,14H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid?
2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).