[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C23H24N2O5 — CID 7281807

IUPAC[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H24N2O5/c1-14-7-9-17(10-8-14)21(27)16(3)30-23(29)19-12-20(26)25(13-19)24-22(28)18-6-4-5-15(2)11-18/h4-11,16,19H,12-13H2,1-3H3,(H,24,28)/t16-,19-/m1/s1
InChIKeyFICLLWSBSQOPBB-VQIMIIECSA-N
MW408.45 g/mol
LogP2.61
Rot. Bonds6

About [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 7281807) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID7281807
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H24N2O5/c1-14-7-9-17(10-8-14)21(27)16(3)30-23(29)19-12-20(26)25(13-19)24-22(28)18-6-4-5-15(2)11-18/h4-11,16,19H,12-13H2,1-3H3,(H,24,28)/t16-,19-/m1/s1
InChIKeyFICLLWSBSQOPBB-VQIMIIECSA-N
XLogP2.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-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
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281797
[2-(3-methoxyphenyl)-2-oxoethyl] 1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 3821447
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004026
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 1095965
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281773
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 1218770
[(2S)-1-oxo-1-phenylpropan-2-yl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004235
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004163
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (3S)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004049
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281777
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004151

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 7281807) is [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1.
What is the InChIKey of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FICLLWSBSQOPBB-VQIMIIECSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-7-9-17(10-8-14)21(27)16(3)30-23(29)19-12-20(26)25(13-19)24-22(28)18-6-4-5-15(2)11-18/h4-11,16,19H,12-13H2,1-3H3,(H,24,28)/t16-,19-/m1/s1.
What are the key properties of [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7281807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).