ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate

C26H25NO3 — CID 139071105

IUPACethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H25NO3/c1-2-30-26(29)24-21(18-12-6-3-7-13-18)22(25(28)20-16-10-5-11-17-20)23(27-24)19-14-8-4-9-15-19/h3-17,21-24,27H,2H2,1H3/t21-,22-,23-,24-/m1/s1
InChIKeyROHSHQDBDVQHKB-MOUTVQLLSA-N
MW399.49 g/mol
LogP4.55
Rot. Bonds6

About ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate

ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate (PubChem CID 139071105) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate
PubChem CID139071105
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Nameethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H25NO3/c1-2-30-26(29)24-21(18-12-6-3-7-13-18)22(25(28)20-16-10-5-11-17-20)23(27-24)19-14-8-4-9-15-19/h3-17,21-24,27H,2H2,1H3/t21-,22-,23-,24-/m1/s1
InChIKeyROHSHQDBDVQHKB-MOUTVQLLSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-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 (2S,3R,4R,5R)-4-(4-chlorobenzoyl)-3-methyl-5-phenyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134962805
methyl (2S,3R,4R,5S)-4-benzoyl-3,5-dimethyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134962809
methyl (1R,2S,4R,5S)-1-(4-fluorophenyl)-6-oxo-4-phenyl-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 138978760
methyl (2S,3R,4R)-4-benzoyl-5-(4-bromophenyl)-3-methyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 166449164
methyl (2S,3R,4S,5R)-4-acetyl-3,5-diphenylpyrrolidine-2-carboxylate
CID 14062331
4-Benzoyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 19709465
Tert-butyl 4-benzoyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 140385888
ethyl (2R)-4-oxo-4-phenyl-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 21635526
ethyl (2R)-4-oxo-4-phenyl-2-[[(1R)-1-phenylethyl]amino]butanoate
CID 72374553
methyl (1R,3S,3aR,6aS)-6-oxo-1-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 11482331
ethyl (2S,4R,5S)-4-benzyl-5-phenylpyrrolidine-2-carboxylate
CID 11722869
ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 12030808

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate (CID 139071105) is ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate?
The InChIKey is ROHSHQDBDVQHKB-MOUTVQLLSA-N. The full InChI is InChI=1S/C26H25NO3/c1-2-30-26(29)24-21(18-12-6-3-7-13-18)22(25(28)20-16-10-5-11-17-20)23(27-24)19-14-8-4-9-15-19/h3-17,21-24,27H,2H2,1H3/t21-,22-,23-,24-/m1/s1.
What are the key properties of ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate?
ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4R,5S)-4-benzoyl-3,5-diphenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 139071105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).