[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C22H23NO5 — CID 1094826

IUPAC[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)c1ccccc1
InChIInChI=1S/C22H23NO5/c1-3-19(21(25)15-7-5-4-6-8-15)28-22(26)16-13-20(24)23(14-16)17-9-11-18(27-2)12-10-17/h4-12,16,19H,3,13-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyAWDFBURFXZBQQB-LPHOPBHVSA-N
MW381.43 g/mol
LogP3.25
Rot. Bonds7

About [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 1094826) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID1094826
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)c1ccccc1
InChIInChI=1S/C22H23NO5/c1-3-19(21(25)15-7-5-4-6-8-15)28-22(26)16-13-20(24)23(14-16)17-9-11-18(27-2)12-10-17/h4-12,16,19H,3,13-14H2,1-2H3/t16-,19-/m0/s1
InChIKeyAWDFBURFXZBQQB-LPHOPBHVSA-N
XLogP3.25
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498045
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004270
[(1S)-1-cyclopropylethyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 95173629
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(4-benzylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057134
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004011
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004012
[2-(3-methoxyphenyl)-2-oxoethyl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 654046
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(1,3-dioxoisoindol-2-yl)methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056725
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004099

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 1094826) is [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AWDFBURFXZBQQB-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-19(21(25)15-7-5-4-6-8-15)28-22(26)16-13-20(24)23(14-16)17-9-11-18(27-2)12-10-17/h4-12,16,19H,3,13-14H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 1094826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).