ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate

C20H20N2O4 — CID 71581356

IUPACethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-2-26-20(25)18-16(14-9-5-3-6-10-14)13-17(23)22(18)21-19(24)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3,(H,21,24)/t16-,18+/m0/s1
InChIKeyASCRWALTIRIKPQ-FUHWJXTLSA-N
MW352.39 g/mol
LogP2.28
Rot. Bonds5

About ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate

ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate (PubChem CID 71581356) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate
PubChem CID71581356
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-2-26-20(25)18-16(14-9-5-3-6-10-14)13-17(23)22(18)21-19(24)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3,(H,21,24)/t16-,18+/m0/s1
InChIKeyASCRWALTIRIKPQ-FUHWJXTLSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (2R,3S)-1-(4-fluorobenzamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 71581357
Ethyl (2R,3S)-1-benzamido-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 71581365
(2S,3S)-Ethyl 1-(4-fluorobenzamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 46174205
Ethyl (2R,3S)-1-(1-naphthamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 71581352
Ethyl (2R,3S)-1-(3-bromobenzamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 71581353
Ethyl (2R,3S)-1-benzamido-3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 71581360
Ethyl (2R,3S)-1-(4-bromobenzamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 71581373
Ethyl (2R,3S)-1-benzamido-5-oxo-3-(p-tolyl)pyrrolidine-2-carboxylate
CID 71581382
Ethyl (2R,3S)-1-(4-chlorobenzamido)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 71581384
Ethyl (2R,3S)-1-benzamido-3-(naphthalen-1-yl)-5-oxopyrrolidine-2-carboxylate
CID 71581389
Ethyl (2R,3S)-1-benzamido-3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylate
CID 71581405
ethyl (2S,3R)-1-benzamido-4-oxo-3-phenylpiperidine-2-carboxylate
CID 102590638

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate (CID 71581356) is ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate is CCOC(=O)[C@H]1[C@H](c2ccccc2)CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The InChIKey is ASCRWALTIRIKPQ-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-26-20(25)18-16(14-9-5-3-6-10-14)13-17(23)22(18)21-19(24)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3,(H,21,24)/t16-,18+/m0/s1.
What are the key properties of ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate?
ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-1-benzamido-5-oxo-3-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 71581356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).