2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid

C24H29NO5 — CID 24811733

IUPAC2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid
SMILESCCCCC(O)c1ccc(N2CCC(=O)C2Cc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C24H29NO5/c1-2-3-7-22(26)18-8-10-19(11-9-18)25-13-12-23(27)21(25)15-17-5-4-6-20(14-17)30-16-24(28)29/h4-6,8-11,14,21-22,26H,2-3,7,12-13,15-16H2,1H3,(H,28,29)
InChIKeyDEXFCPZPRKTMSZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.76
Rot. Bonds10

About 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid

2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid (PubChem CID 24811733) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid
PubChem CID24811733
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid
SMILESCCCCC(O)c1ccc(N2CCC(=O)C2Cc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C24H29NO5/c1-2-3-7-22(26)18-8-10-19(11-9-18)25-13-12-23(27)21(25)15-17-5-4-6-20(14-17)30-16-24(28)29/h4-6,8-11,14,21-22,26H,2-3,7,12-13,15-16H2,1H3,(H,28,29)
InChIKeyDEXFCPZPRKTMSZ-UHFFFAOYSA-N
XLogP3.76
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic 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

6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one
CID 143851696
2-[3-[[(3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]methyl]phenoxy]acetic acid
CID 70505937
2-[3-[[(1S,2S,3R,4R)-3-(2-hexoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenoxy]acetic acid
CID 18598920
2-[3-[[(1S,2S,3R,4R)-3-(3-hexoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenoxy]acetic acid
CID 18598925
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
CID 79695787
[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite
CID 70852472
3-[[1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid
CID 70667399
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 154871166
2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid
CID 67330505
2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 119246761
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid (CID 24811733) is 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid is CCCCC(O)c1ccc(N2CCC(=O)C2Cc2cccc(OCC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid?
The InChIKey is DEXFCPZPRKTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-2-3-7-22(26)18-8-10-19(11-9-18)25-13-12-23(27)21(25)15-17-5-4-6-20(14-17)30-16-24(28)29/h4-6,8-11,14,21-22,26H,2-3,7,12-13,15-16H2,1H3,(H,28,29).
What are the key properties of 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid?
2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid has a molecular weight of 411.50 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 24811733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).