2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid

C20H21NO4 — CID 119186874

IUPAC2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H21NO4/c1-14-18(15-6-3-2-4-7-15)10-11-21(14)20(24)16-8-5-9-17(12-16)25-13-19(22)23/h2-9,12,14,18H,10-11,13H2,1H3,(H,22,23)
InChIKeySHFOHLHGFXXBJV-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid

2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid (PubChem CID 119186874) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
PubChem CID119186874
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
SMILESCC1C(c2ccccc2)CCN1C(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C20H21NO4/c1-14-18(15-6-3-2-4-7-15)10-11-21(14)20(24)16-8-5-9-17(12-16)25-13-19(22)23/h2-9,12,14,18H,10-11,13H2,1H3,(H,22,23)
InChIKeySHFOHLHGFXXBJV-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic 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

2-[3-(3-methyl-2-phenylazetidine-1-carbonyl)phenoxy]acetic acid
CID 119187127
(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 95974609
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
(2S,3S)-1-[3-(2-methoxy-2-oxoethoxy)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116551
2-[3-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182379
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
CID 79695787
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
CID 119186354
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
3-[2-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]-2-oxoethoxy]-N-methylbenzamide
CID 166283162

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid (CID 119186874) is 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid is CC1C(c2ccccc2)CCN1C(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
The InChIKey is SHFOHLHGFXXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-14-18(15-6-3-2-4-7-15)10-11-21(14)20(24)16-8-5-9-17(12-16)25-13-19(22)23/h2-9,12,14,18H,10-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid?
2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid is sourced from PubChem (CID 119186874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).