7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid

C19H31NO5 — CID 13366082

IUPAC7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid
SMILESCCCCCC(O)/C=C/C1CCC(=O)N1CC(=O)CCCCC(=O)O
InChIInChI=1S/C19H31NO5/c1-2-3-4-7-16(21)12-10-15-11-13-18(23)20(15)14-17(22)8-5-6-9-19(24)25/h10,12,15-16,21H,2-9,11,13-14H2,1H3,(H,24,25)/b12-10+
InChIKeyOBOBMZIDOASWEG-ZRDIBKRKSA-N
MW353.46 g/mol
LogP2.69
Rot. Bonds13

About 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid

7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid (PubChem CID 13366082) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid.

Molecular Properties

Compound Name7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid
PubChem CID13366082
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Name7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid
SMILESCCCCCC(O)/C=C/C1CCC(=O)N1CC(=O)CCCCC(=O)O
InChIInChI=1S/C19H31NO5/c1-2-3-4-7-16(21)12-10-15-11-13-18(23)20(15)14-17(22)8-5-6-9-19(24)25/h10,12,15-16,21H,2-9,11,13-14H2,1H3,(H,24,25)/b12-10+
InChIKeyOBOBMZIDOASWEG-ZRDIBKRKSA-N
XLogP2.69
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic 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

7-[2-[(3R)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid
CID 91518834
7-[(2R)-2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 69020366
2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid
CID 69355887
2-[4-[(2R)-2-(3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl]but-2-enoxy]acetic acid
CID 69355178
7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-2-methylheptanoic acid
CID 22770548
4-[2-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-3-methylbutanoic acid
CID 10109784
4-[2-[(2R)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-2-methylbutanoic acid
CID 69356210
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
methyl 2-[4-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butoxy]acetate
CID 59984991
4-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl acetate
CID 10155288
ethyl 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-5-methylheptanoate
CID 22770546

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid?
The IUPAC name of 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid (CID 13366082) is 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid.
What is the SMILES notation for 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid?
The canonical SMILES for 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid is CCCCCC(O)/C=C/C1CCC(=O)N1CC(=O)CCCCC(=O)O.
What is the InChIKey of 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid?
The InChIKey is OBOBMZIDOASWEG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H31NO5/c1-2-3-4-7-16(21)12-10-15-11-13-18(23)20(15)14-17(22)8-5-6-9-19(24)25/h10,12,15-16,21H,2-9,11,13-14H2,1H3,(H,24,25)/b12-10+.
What are the key properties of 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid?
7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid has a molecular weight of 353.46 g/mol, XLogP of 2.69, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]-6-oxoheptanoic acid is sourced from PubChem (CID 13366082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).