3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H19N2O4- — CID 9004553

IUPAC3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O
InChIInChI=1S/C20H20N2O4/c1-2-13-6-3-4-9-17(13)22-12-15(11-18(22)23)19(24)21-16-8-5-7-14(10-16)20(25)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t15-/m1/s1
InChIKeyOWDUFYLCJWZEPN-OAHLLOKOSA-M
MW351.38 g/mol
LogP1.60
Rot. Bonds5

About 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 9004553) has the molecular formula C20H19N2O4- and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Name3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID9004553
Molecular FormulaC20H19N2O4-
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O
InChIInChI=1S/C20H20N2O4/c1-2-13-6-3-4-9-17(13)22-12-15(11-18(22)23)19(24)21-16-8-5-7-14(10-16)20(25)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t15-/m1/s1
InChIKeyOWDUFYLCJWZEPN-OAHLLOKOSA-M
XLogP1.60
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
3-[[(3R)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056341
(3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004590
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55653934
1-(2-ethylphenyl)-5-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 134024786
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
methyl 3-[[1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113185952

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 9004553) is 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O.
What is the InChIKey of 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is OWDUFYLCJWZEPN-OAHLLOKOSA-M. The full InChI is InChI=1S/C20H20N2O4/c1-2-13-6-3-4-9-17(13)22-12-15(11-18(22)23)19(24)21-16-8-5-7-14(10-16)20(25)26/h3-10,15H,2,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t15-/m1/s1.
What are the key properties of 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 351.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 9004553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).