(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one

C28H30N2O3 — CID 101069666

IUPAC(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N1C[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C28H30N2O3/c1-32-28(23-14-7-3-8-15-23,24-16-9-4-10-17-24)26-18-11-19-29(26)30-20-25(27(30)31)33-21-22-12-5-2-6-13-22/h2-10,12-17,25-26H,11,18-21H2,1H3/t25-,26+/m1/s1
InChIKeyYQECUQHTLYTIPV-FTJBHMTQSA-N
MW442.56 g/mol
LogP4.38
Rot. Bonds8

About (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one

(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one (PubChem CID 101069666) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one
PubChem CID101069666
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N1C[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C28H30N2O3/c1-32-28(23-14-7-3-8-15-23,24-16-9-4-10-17-24)26-18-11-19-29(26)30-20-25(27(30)31)33-21-22-12-5-2-6-13-22/h2-10,12-17,25-26H,11,18-21H2,1H3/t25-,26+/m1/s1
InChIKeyYQECUQHTLYTIPV-FTJBHMTQSA-N
XLogP4.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one 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

(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
1-[(7S)-7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-phenylmethoxyethanone
CID 164637549
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-(3,3,3-trifluoropropyl)azetidin-2-one
CID 130192775
(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one
CID 10891696
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11220816
(3R,4S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-pentyl-3-phenylmethoxyazetidin-2-one
CID 101166701
(3R,4S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-(2-methylpropyl)-3-phenylmethoxyazetidin-2-one
CID 101166702
(3R,4S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-(2-phenylethyl)-3-phenylmethoxyazetidin-2-one
CID 101166703
(3R,4S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 101166704
(3R,4S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-phenyl-3-phenylmethoxyazetidin-2-one
CID 101166705
(3S,4R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-pentyl-3-phenylmethoxyazetidin-2-one
CID 101166706
(3S,4R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-4-(2-methylpropyl)-3-phenylmethoxyazetidin-2-one
CID 101166707

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one (CID 101069666) is (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one is COC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1N1C[C@@H](OCc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one?
The InChIKey is YQECUQHTLYTIPV-FTJBHMTQSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-32-28(23-14-7-3-8-15-23,24-16-9-4-10-17-24)26-18-11-19-29(26)30-20-25(27(30)31)33-21-22-12-5-2-6-13-22/h2-10,12-17,25-26H,11,18-21H2,1H3/t25-,26+/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one?
(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one has a molecular weight of 442.56 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 101069666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).