methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate

C22H24FNO4 — CID 155775303

IUPACmethyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(COCc2ccccc2)CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-27-21(26)22(16-28-15-18-6-3-2-4-7-18)12-5-13-24(22)20(25)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3/t22-/m1/s1
InChIKeyYELBTYXQSJKINW-JOCHJYFZSA-N
MW385.44 g/mol
LogP3.12
Rot. Bonds7

About methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate

methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate (PubChem CID 155775303) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
PubChem CID155775303
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Namemethyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(COCc2ccccc2)CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H24FNO4/c1-27-21(26)22(16-28-15-18-6-3-2-4-7-18)12-5-13-24(22)20(25)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3/t22-/m1/s1
InChIKeyYELBTYXQSJKINW-JOCHJYFZSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate 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-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
CID 155775308
methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
CID 175092778
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754
methyl (2S)-2-ethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 67272370
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
1-O-benzyl 3-O-methyl 3-[(4-fluorophenyl)methyl]piperidine-1,3-dicarboxylate
CID 139746659
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
tert-butyl 2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123620552
1-O-benzyl 2-O-methyl (2R)-2-[(E)-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 134969660
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
1-O-tert-butyl 2-O-methyl (4R)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 156704536
1-O,4-O-ditert-butyl 2-O-methyl 2-(phenylmethoxymethyl)piperazine-1,2,4-tricarboxylate
CID 118358792

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate (CID 155775303) is methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate is COC(=O)[C@]1(COCc2ccccc2)CCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is YELBTYXQSJKINW-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-27-21(26)22(16-28-15-18-6-3-2-4-7-18)12-5-13-24(22)20(25)14-17-8-10-19(23)11-9-17/h2-4,6-11H,5,12-16H2,1H3/t22-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 155775303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).