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

C23H26N2O4 — CID 120701154

IUPAC2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-8-10-17(11-9-16)14-25-19(12-13-20(25)26)21(27)24-15-23(2,22(28)29)18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyRAUXJRFVLVPYTP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.64
Rot. Bonds7

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

2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid (PubChem CID 120701154) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid
PubChem CID120701154
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-8-10-17(11-9-16)14-25-19(12-13-20(25)26)21(27)24-15-23(2,22(28)29)18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyRAUXJRFVLVPYTP-UHFFFAOYSA-N
XLogP2.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119528811
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765
(2S)-2-benzyl-3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 124697374
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
2-methoxy-5-[[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125153610
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
2-[4-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698405
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid (CID 120701154) is 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid is Cc1ccc(CN2C(=O)CCC2C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid?
The InChIKey is RAUXJRFVLVPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-8-10-17(11-9-16)14-25-19(12-13-20(25)26)21(27)24-15-23(2,22(28)29)18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid?
2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid has a molecular weight of 394.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120701154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).