1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid

C18H33NO5 — CID 68586351

IUPAC1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C14H28O2.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;6-3-1-2-4(7)5(3)8/h2-13H2,1H3,(H,15,16);8H,1-2H2
InChIKeyIYLXCLAZLAWMIR-UHFFFAOYSA-N
MW343.46 g/mol
LogP4.30
Rot. Bonds12

About 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid

1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid (PubChem CID 68586351) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
PubChem CID68586351
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Name1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C14H28O2.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;6-3-1-2-4(7)5(3)8/h2-13H2,1H3,(H,15,16);8H,1-2H2
InChIKeyIYLXCLAZLAWMIR-UHFFFAOYSA-N
XLogP4.30
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypyrrolidine-2,5-dione;16-methylheptadecanoic acid
CID 175876863
cyclobutanone;undecanoic acid
CID 53445946
butanoic acid;heptanoic acid
CID 88628383
butanoic acid;tetradecanoic acid
CID 157185085
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid (CID 68586351) is 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid?
The InChIKey is IYLXCLAZLAWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;6-3-1-2-4(7)5(3)8/h2-13H2,1H3,(H,15,16);8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid?
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid has a molecular weight of 343.46 g/mol, XLogP of 4.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid is sourced from PubChem (CID 68586351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).