4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid

C22H33NO4 — CID 69250449

IUPAC4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
SMILESCCCCCC[C@@H](O)CC[C@@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H33NO4/c1-2-3-4-5-6-20(24)13-11-19-12-14-21(25)23(19)16-15-17-7-9-18(10-8-17)22(26)27/h7-10,19-20,24H,2-6,11-16H2,1H3,(H,26,27)/t19-,20-/m1/s1
InChIKeyNMWKIASVGPAKON-WOJBJXKFSA-N
MW375.51 g/mol
LogP4.03
Rot. Bonds12

About 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid

4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid (PubChem CID 69250449) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
PubChem CID69250449
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
SMILESCCCCCC[C@@H](O)CC[C@@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H33NO4/c1-2-3-4-5-6-20(24)13-11-19-12-14-21(25)23(19)16-15-17-7-9-18(10-8-17)22(26)27/h7-10,19-20,24H,2-6,11-16H2,1H3,(H,26,27)/t19-,20-/m1/s1
InChIKeyNMWKIASVGPAKON-WOJBJXKFSA-N
XLogP4.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]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-[2-[2-(3-hydroxy-4-methyl-4-phenylpentyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 10024489
4-[2-[(2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69249663
4-[2-[(2S)-2-[(3R)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69250286
4-[2-[2-[(3S)-3-hydroxyoctyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid
CID 59769699
4-[2-[2-[(E)-oct-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 71002459
4-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]benzoic acid
CID 59752145
4-[2-[2-(1-hydroxynonyl)-5-oxopyrazolidin-1-yl]ethyl]benzoic acid
CID 66889577
4-[3-[1-(3-cyclohexylpropyl)-5-oxopyrrolidin-2-yl]propyl]benzoic acid
CID 143239332
6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid
CID 58804739
5-(3-hydroxy-4-phenylbutyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 141051943
4-[2-[2-[(Z)-3-hydroxypent-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 10425961
4-[2-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid
CID 58770096

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid (CID 69250449) is 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid is CCCCCC[C@@H](O)CC[C@@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid?
The InChIKey is NMWKIASVGPAKON-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H33NO4/c1-2-3-4-5-6-20(24)13-11-19-12-14-21(25)23(19)16-15-17-7-9-18(10-8-17)22(26)27/h7-10,19-20,24H,2-6,11-16H2,1H3,(H,26,27)/t19-,20-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid?
4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid has a molecular weight of 375.51 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid is sourced from PubChem (CID 69250449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).