4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid

C24H29NO5 — CID 24760055

IUPAC4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid
SMILESCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H29NO5/c1-2-3-4-5-22(26)17-6-10-19(11-7-17)25-20(12-15-23(25)27)16-30-21-13-8-18(9-14-21)24(28)29/h6-11,13-14,20,22,26H,2-5,12,15-16H2,1H3,(H,28,29)/t20-,22?/m1/s1
InChIKeyNAQHJYUFGGYLEP-PSDZMVHGSA-N
MW411.50 g/mol
LogP4.57
Rot. Bonds10

About 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid

4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid (PubChem CID 24760055) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid
PubChem CID24760055
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid
SMILESCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H29NO5/c1-2-3-4-5-22(26)17-6-10-19(11-7-17)25-20(12-15-23(25)27)16-30-21-13-8-18(9-14-21)24(28)29/h6-11,13-14,20,22,26H,2-5,12,15-16H2,1H3,(H,28,29)/t20-,22?/m1/s1
InChIKeyNAQHJYUFGGYLEP-PSDZMVHGSA-N
XLogP4.57
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]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

4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
CID 9871831
4-{[(2S,4S)-4-fluoro-1-[2-(3-methyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
CID 23647825
4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-methoxyphenyl)carbamoyl]amino}phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
CID 23647822
4-{[(2S,4S)-1-[2-(3-ethyl-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-4-fluoropyrrolidin-2-yl]methoxy}benzoic acid
CID 23647826
4-{[(2S,4S)-4-fluoro-1-[2-(4-{[(2-methylphenyl)carbamoyl]amino}-3-(propan-2-yl)phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
CID 23647827
4-{[(2S,4S)-4-fluoro-1-[2-(4-{[(2-methylphenyl)carbamoyl]amino}-3-(trifluoromethyl)phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
CID 23647828
ethyl 4-[2-(2-fluorophenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
CID 5861195
4-(1-(4-Tert-butylphenyl)-2-oxo-4-pyrrolidinyl)methoxybenzoic acid
CID 9864021
[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 664665
4-(Methoxycarbonyl)phenyl 1-(3-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2960914
4-(Methoxycarbonyl)phenyl 1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2961532
ethyl 4-(3-hydroxy-4-(4-methoxybenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl)benzoate
CID 5796006

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid (CID 24760055) is 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid is CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid?
The InChIKey is NAQHJYUFGGYLEP-PSDZMVHGSA-N. The full InChI is InChI=1S/C24H29NO5/c1-2-3-4-5-22(26)17-6-10-19(11-7-17)25-20(12-15-23(25)27)16-30-21-13-8-18(9-14-21)24(28)29/h6-11,13-14,20,22,26H,2-5,12,15-16H2,1H3,(H,28,29)/t20-,22?/m1/s1.
What are the key properties of 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid?
4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid has a molecular weight of 411.50 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 24760055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).