3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid

C20H21NO4 — CID 119256533

IUPAC3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(Oc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO4/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)25-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24)
InChIKeyGVGFKSRFBNGCOT-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.13
Rot. Bonds5

About 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 119256533) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID119256533
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(Oc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO4/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)25-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24)
InChIKeyGVGFKSRFBNGCOT-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-phenoxy-2-phenylacetyl)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

1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
(3S)-3-methyl-1-[(2S)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124693554
(3R)-3-methyl-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124691378
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
(3R)-1-[(2S)-2-(2-bromophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696026
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
(3R)-1-[(2R)-3-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124686578
(3S)-1-[(3R)-3-(3-methoxyphenyl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124688292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid (CID 119256533) is 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C(Oc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GVGFKSRFBNGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)25-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24).
What are the key properties of 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).