2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid

C22H24N2O4 — CID 119165639

IUPAC2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1ccc(CN2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)13-24-14-18(12-20(24)25)21(26)23-19(22(27)28)11-16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyGHYGZOIMVRCKBI-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.16
Rot. Bonds7

About 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid

2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid (PubChem CID 119165639) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
PubChem CID119165639
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1ccc(CN2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)13-24-14-18(12-20(24)25)21(26)23-19(22(27)28)11-16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyGHYGZOIMVRCKBI-UHFFFAOYSA-N
XLogP2.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
(2S)-3-methyl-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119359431
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
(3S)-N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95313891
(2R)-2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367171
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119528368
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid (CID 119165639) is 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid is Cc1ccc(CN2CC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2=O)cc1.
What is the InChIKey of 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid?
The InChIKey is GHYGZOIMVRCKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-7-9-17(10-8-15)13-24-14-18(12-20(24)25)21(26)23-19(22(27)28)11-16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid?
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119165639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).