1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid

C20H21NO3 — CID 22665663

IUPAC1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(21-13-7-12-18(21)20(23)24)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,23,24)
InChIKeyQQGQFKZIZJOOSL-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.28
Rot. Bonds5

About 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid

1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 22665663) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID22665663
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19(21-13-7-12-18(21)20(23)24)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,23,24)
InChIKeyQQGQFKZIZJOOSL-UHFFFAOYSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-diphenylpropanoyl)pyrrolidine-2-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

(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
(2R)-1-[3-(1,3-dioxoisoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 164643870
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
(2R)-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 78922340
(2R)-1-[(3S)-3-pyridin-4-ylbutanoyl]pyrrolidine-2-carboxylic acid
CID 125149822
(2R)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688281

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid (CID 22665663) is 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QQGQFKZIZJOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(21-13-7-12-18(21)20(23)24)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,23,24).
What are the key properties of 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22665663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).