[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C23H24N2O5 — CID 7281763

IUPAC[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1)C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c1-3-19(21(27)16-10-5-4-6-11-16)30-23(29)17-13-20(26)25(14-17)24-22(28)18-12-8-7-9-15(18)2/h4-12,17,19H,3,13-14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1
InChIKeyOYWYABCNZMBSEG-MJGOQNOKSA-N
MW408.45 g/mol
LogP2.69
Rot. Bonds7

About [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 7281763) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID7281763
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCC[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1)C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O5/c1-3-19(21(27)16-10-5-4-6-11-16)30-23(29)17-13-20(26)25(14-17)24-22(28)18-12-8-7-9-15(18)2/h4-12,17,19H,3,13-14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1
InChIKeyOYWYABCNZMBSEG-MJGOQNOKSA-N
XLogP2.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 4221516
1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 3329799
(2-anilino-2-oxoethyl) (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 9168892
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1094826
[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 9498045
[2-(4-bromo-2-methylanilino)-2-oxoethyl] (3S)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579545
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004270
phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 4272230
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281807
[(2S)-4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl] (3R)-1-[(4-tert-butylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 41137398
[(2S)-1-oxo-1-phenylpropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004235
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 7281656

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 7281763) is [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is CC[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1)C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is OYWYABCNZMBSEG-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-19(21(27)16-10-5-4-6-11-16)30-23(29)17-13-20(26)25(14-17)24-22(28)18-12-8-7-9-15(18)2/h4-12,17,19H,3,13-14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1.
What are the key properties of [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
[(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylbutan-2-yl] (3R)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7281763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).