2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate

C26H25NO4 — CID 101254393

IUPAC2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H](C(=O)OCc2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H25NO4/c1-30-25(28)22-17-23(26(29)31-18-19-11-5-2-6-12-19)27(21-15-9-4-10-16-21)24(22)20-13-7-3-8-14-20/h2-16,22-24H,17-18H2,1H3/t22-,23+,24-/m0/s1
InChIKeyDTRYYDPMHOUMKS-VXNXHJTFSA-N
MW415.49 g/mol
LogP4.54
Rot. Bonds6

About 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate

2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate (PubChem CID 101254393) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
PubChem CID101254393
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@H](C(=O)OCc2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H25NO4/c1-30-25(28)22-17-23(26(29)31-18-19-11-5-2-6-12-19)27(21-15-9-4-10-16-21)24(22)20-13-7-3-8-14-20/h2-16,22-24H,17-18H2,1H3/t22-,23+,24-/m0/s1
InChIKeyDTRYYDPMHOUMKS-VXNXHJTFSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate 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

benzyl 1-acetyl-2-benzyl-3H-indole-2-carboxylate
CID 70689983
sodium (2S)-1-[3-[(3R)-2-oxo-4-phenylmethoxycarbonylmorpholin-3-yl]propanoyl]-2,3-dihydroindole-2-carboxylate
CID 44287683
dimethyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
CID 11279204
tert-butyl (2S,3S)-1-benzyl-3-[2-[methyl-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]phenyl]aziridine-2-carboxylate
CID 56968351
ethyl (1R,3R,3aS,6aR)-4,6-dioxo-2-[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]-1,5-diphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 101478835
ethyl (1R,3R,3aR,6aS)-4,6-dioxo-2-[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]-1,5-diphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 101478836
ethyl (2R,4S,5R)-4-acetyl-1-[(E)-4-oxo-4-phenylmethoxybut-2-en-2-yl]-5-phenylpyrrolidine-2-carboxylate
CID 101478837
tert-butyl (2R,3S)-1-benzyl-3-[2-[methyl-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]phenyl]aziridine-2-carboxylate
CID 134945283
tert-butyl (2S,3R)-1-benzyl-3-[2-[methyl-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]phenyl]aziridine-2-carboxylate
CID 134945284
tert-butyl (2R,3R)-1-benzyl-3-[2-[methyl-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]phenyl]aziridine-2-carboxylate
CID 134945285
2-O-ethyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate
CID 135068259
diethyl (1S,5S)-2,3-diphenyl-2-azabicyclo[3.2.0]hept-6-ene-6,7-dicarboxylate
CID 138963930

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate (CID 101254393) is 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@H]1C[C@H](C(=O)OCc2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is DTRYYDPMHOUMKS-VXNXHJTFSA-N. The full InChI is InChI=1S/C26H25NO4/c1-30-25(28)22-17-23(26(29)31-18-19-11-5-2-6-12-19)27(21-15-9-4-10-16-21)24(22)20-13-7-3-8-14-20/h2-16,22-24H,17-18H2,1H3/t22-,23+,24-/m0/s1.
What are the key properties of 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate?
2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 415.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 4-O-methyl (2R,4S,5R)-1,5-diphenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 101254393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).