methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate

C19H19NO3 — CID 833629

IUPACmethyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)17-8-5-13-20(17)18(21)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-/m1/s1
InChIKeyGVSJIXPPEFBFRR-QGZVFWFLSA-N
MW309.37 g/mol
LogP3.13
Rot. Bonds3

About methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate

methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate (PubChem CID 833629) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
PubChem CID833629
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)17-8-5-13-20(17)18(21)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-/m1/s1
InChIKeyGVSJIXPPEFBFRR-QGZVFWFLSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-1-(4-phenylbenzoyl)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

methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
CID 610761
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908839

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate (CID 833629) is methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is GVSJIXPPEFBFRR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-19(22)17-8-5-13-20(17)18(21)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 833629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).