4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid

C19H17NO6 — CID 118454626

IUPAC4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid
SMILESO=C1CC(COC(=O)c2cccc(Oc3ccc(C(=O)O)cc3)c2)CN1
InChIInChI=1S/C19H17NO6/c21-17-8-12(10-20-17)11-25-19(24)14-2-1-3-16(9-14)26-15-6-4-13(5-7-15)18(22)23/h1-7,9,12H,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyBSTZLKQDKUSPRZ-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.47
Rot. Bonds6

About 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid

4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid (PubChem CID 118454626) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid.

Molecular Properties

Compound Name4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid
PubChem CID118454626
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid
SMILESO=C1CC(COC(=O)c2cccc(Oc3ccc(C(=O)O)cc3)c2)CN1
InChIInChI=1S/C19H17NO6/c21-17-8-12(10-20-17)11-25-19(24)14-2-1-3-16(9-14)26-15-6-4-13(5-7-15)18(22)23/h1-7,9,12H,8,10-11H2,(H,20,21)(H,22,23)
InChIKeyBSTZLKQDKUSPRZ-UHFFFAOYSA-N
XLogP2.47
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-5-oxopyrrolidin-3-yl]methyl 3,5-bis(trifluoromethyl)benzoate
CID 99581985
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
(3-oxocyclobutyl)methyl benzoate
CID 15531476
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
4-phenoxybenzoic acid;hydrochloride
CID 70385625
[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 43023413
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 23909728
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
3-(4-cyclohexylphenoxy)benzoic acid
CID 15225599
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid?
The IUPAC name of 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid (CID 118454626) is 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid.
What is the SMILES notation for 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid?
The canonical SMILES for 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid is O=C1CC(COC(=O)c2cccc(Oc3ccc(C(=O)O)cc3)c2)CN1.
What is the InChIKey of 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid?
The InChIKey is BSTZLKQDKUSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c21-17-8-12(10-20-17)11-25-19(24)14-2-1-3-16(9-14)26-15-6-4-13(5-7-15)18(22)23/h1-7,9,12H,8,10-11H2,(H,20,21)(H,22,23).
What are the key properties of 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid?
4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid has a molecular weight of 355.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-oxopyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzoic acid is sourced from PubChem (CID 118454626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).