[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C22H24N2O5 — CID 9067881

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C22H24N2O5/c1-15(16-7-4-3-5-8-16)23-20(25)14-29-22(27)17-11-21(26)24(13-17)18-9-6-10-19(12-18)28-2/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,23,25)/t15-,17+/m1/s1
InChIKeyYMKFXBGSTZRHIN-WBVHZDCISA-N
MW396.44 g/mol
LogP2.47
Rot. Bonds7

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 9067881) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID9067881
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C22H24N2O5/c1-15(16-7-4-3-5-8-16)23-20(25)14-29-22(27)17-11-21(26)24(13-17)18-9-6-10-19(12-18)28-2/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,23,25)/t15-,17+/m1/s1
InChIKeyYMKFXBGSTZRHIN-WBVHZDCISA-N
XLogP2.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871381
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9067807
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 124579365
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871418
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579099
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579100
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3R)-1-(3-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 34656034
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55418055
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-[(2-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579800
(3S)-1-(3-methoxyphenyl)-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9376482

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 9067881) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1cccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is YMKFXBGSTZRHIN-WBVHZDCISA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(16-7-4-3-5-8-16)23-20(25)14-29-22(27)17-11-21(26)24(13-17)18-9-6-10-19(12-18)28-2/h3-10,12,15,17H,11,13-14H2,1-2H3,(H,23,25)/t15-,17+/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9067881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).