2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

C22H24N2O4 — CID 119233557

IUPAC2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c25-20-12-19(15-24(20)14-17-9-5-2-6-10-17)21(26)23-13-18(22(27)28)11-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,26)(H,27,28)
InChIKeyOEVWIUSSJLBNKD-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.09
Rot. Bonds8

About 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid

2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 119233557) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID119233557
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c25-20-12-19(15-24(20)14-17-9-5-2-6-10-17)21(26)23-13-18(22(27)28)11-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,26)(H,27,28)
InChIKeyOEVWIUSSJLBNKD-UHFFFAOYSA-N
XLogP2.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzyl-3-[[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125153798
1-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78868466
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
(2R)-2-[[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124696445
(2S)-2-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 124695977
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119165639
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119528368
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid (CID 119233557) is 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is O=C(O)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is OEVWIUSSJLBNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-20-12-19(15-24(20)14-17-9-5-2-6-10-17)21(26)23-13-18(22(27)28)11-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,26)(H,27,28).
What are the key properties of 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid?
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119233557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).