16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid

C20H35NO5 — CID 18430395

IUPAC16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C20H35NO5/c22-18-16-17(20(25)21(18)26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(23)24/h17,26H,1-16H2,(H,23,24)
InChIKeyHVXHVMDDCPJONE-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.69
Rot. Bonds16

About 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid

16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid (PubChem CID 18430395) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid.

Molecular Properties

Compound Name16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid
PubChem CID18430395
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C20H35NO5/c22-18-16-17(20(25)21(18)26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(23)24/h17,26H,1-16H2,(H,23,24)
InChIKeyHVXHVMDDCPJONE-UHFFFAOYSA-N
XLogP4.69
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.69
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

8-((2,5-Dioxopyrrolidin-1-yl)oxy)-8-oxooctanoic acid
CID 71340631
(2,5-Dioxopyrrolidin-1-yl) 3-ethyl-5-(fluoromethyl)-7-methylcyclooctane-1-carboxylate
CID 129262340
14-((2,5-Dioxopyrrolidin-1-yl)oxy)-14-oxotetradecanoic acid
CID 9928580
3-Cyclohexyl-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester
CID 13146544
15-((2,5-Dioxopyrrolidin-1-yl)oxy)-15-oxopentadecanoic acid
CID 15230808
19-((2,5-Dioxopyrrolidin-1-yl)oxy)-19-oxononadecanoic acid
CID 15230809
16-((2,5-Dioxopyrrolidin-1-yl)oxy)-16-oxohexadecanoic acid
CID 15289550
18-((2,5-Dioxopyrrolidin-1-yl)oxy)-18-oxooctadecanoic acid
CID 15289551
20-((2,5-Dioxopyrrolidin-1-yl)oxy)-20-oxoicosanoic acid
CID 15289552
22-((2,5-Dioxopyrrolidin-1-yl)oxy)-22-oxodocosanoic acid
CID 15289553
6-(3-Dodecyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 19602341
1-[(2-Pentylheptanoyl)oxy]pyrrolidine-2,5-dione
CID 20726655

Frequently Asked Questions

What is the IUPAC name of 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid?
The IUPAC name of 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid (CID 18430395) is 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid.
What is the SMILES notation for 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid?
The canonical SMILES for 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid is O=C(O)CCCCCCCCCCCCCCCC1CC(=O)N(O)C1=O.
What is the InChIKey of 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid?
The InChIKey is HVXHVMDDCPJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5/c22-18-16-17(20(25)21(18)26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19(23)24/h17,26H,1-16H2,(H,23,24).
What are the key properties of 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid?
16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid has a molecular weight of 369.50 g/mol, XLogP of 4.69, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)hexadecanoic acid is sourced from PubChem (CID 18430395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).