2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid

C22H24N2O5 — CID 119246761

IUPAC2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
SMILESCCc1ccccc1N1CC(C(=O)NCc2cccc(OCC(=O)O)c2)CC1=O
InChIInChI=1S/C22H24N2O5/c1-2-16-7-3-4-9-19(16)24-13-17(11-20(24)25)22(28)23-12-15-6-5-8-18(10-15)29-14-21(26)27/h3-10,17H,2,11-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyLAYSPGNNHAHPTB-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.38
Rot. Bonds8

About 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid (PubChem CID 119246761) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
PubChem CID119246761
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
SMILESCCc1ccccc1N1CC(C(=O)NCc2cccc(OCC(=O)O)c2)CC1=O
InChIInChI=1S/C22H24N2O5/c1-2-16-7-3-4-9-19(16)24-13-17(11-20(24)25)22(28)23-12-15-6-5-8-18(10-15)29-14-21(26)27/h3-10,17H,2,11-14H2,1H3,(H,23,28)(H,26,27)
InChIKeyLAYSPGNNHAHPTB-UHFFFAOYSA-N
XLogP2.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55656474
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55800666
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51146905
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49337447
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
(3S)-N-benzyl-1-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 126130551
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid (CID 119246761) is 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid is CCc1ccccc1N1CC(C(=O)NCc2cccc(OCC(=O)O)c2)CC1=O.
What is the InChIKey of 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is LAYSPGNNHAHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-16-7-3-4-9-19(16)24-13-17(11-20(24)25)22(28)23-12-15-6-5-8-18(10-15)29-14-21(26)27/h3-10,17H,2,11-14H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 396.44 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).