2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid

C20H20N2O5 — CID 119351791

IUPAC2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(CC(=O)O)c3)CC2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-27-17-7-5-16(6-8-17)22-12-14(11-18(22)23)20(26)21-15-4-2-3-13(9-15)10-19(24)25/h2-9,14H,10-12H2,1H3,(H,21,26)(H,24,25)
InChIKeyNOHVROFLXJSPLR-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.31
Rot. Bonds6

About 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid

2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid (PubChem CID 119351791) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
PubChem CID119351791
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(CC(=O)O)c3)CC2=O)cc1
InChIInChI=1S/C20H20N2O5/c1-27-17-7-5-16(6-8-17)22-12-14(11-18(22)23)20(26)21-15-4-2-3-13(9-15)10-19(24)25/h2-9,14H,10-12H2,1H3,(H,21,26)(H,24,25)
InChIKeyNOHVROFLXJSPLR-UHFFFAOYSA-N
XLogP2.31
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid (CID 119351791) is 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid is COc1ccc(N2CC(C(=O)Nc3cccc(CC(=O)O)c3)CC2=O)cc1.
What is the InChIKey of 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid?
The InChIKey is NOHVROFLXJSPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-27-17-7-5-16(6-8-17)22-12-14(11-18(22)23)20(26)21-15-4-2-3-13(9-15)10-19(24)25/h2-9,14H,10-12H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid?
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).