4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid

C22H24N2O4 — CID 119168765

IUPAC4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-2-4-17(5-3-15)14-24-19(10-11-20(24)25)21(26)23-13-12-16-6-8-18(9-7-16)22(27)28/h2-9,19H,10-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyMPJFBAQFOXWSBG-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.54
Rot. Bonds7

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

4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid (PubChem CID 119168765) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
PubChem CID119168765
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-15-2-4-17(5-3-15)14-24-19(10-11-20(24)25)21(26)23-13-12-16-6-8-18(9-7-16)22(27)28/h2-9,19H,10-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyMPJFBAQFOXWSBG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
2-methyl-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-phenylpropanoic acid
CID 120701154
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
2-methoxy-5-[[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125153610
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119528811
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 3238121
(2S)-2-benzyl-3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 124697374
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
(2R)-1-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 124514016
2-[4-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698405
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid (CID 119168765) is 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid is Cc1ccc(CN2C(=O)CCC2C(=O)NCCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is MPJFBAQFOXWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-2-4-17(5-3-15)14-24-19(10-11-20(24)25)21(26)23-13-12-16-6-8-18(9-7-16)22(27)28/h2-9,19H,10-14H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid?
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 380.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 119168765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).