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

C20H35NO4 — CID 22759205

IUPAC16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c22-18-15-16-19(23)21(18)17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(24)25/h1-17H2,(H,24,25)
InChIKeyOQZCOTGPLJPKLT-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.68
Rot. Bonds16

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

16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid (PubChem CID 22759205) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid.

Molecular Properties

Compound Name16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid
PubChem CID22759205
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c22-18-15-16-19(23)21(18)17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(24)25/h1-17H2,(H,24,25)
InChIKeyOQZCOTGPLJPKLT-UHFFFAOYSA-N
XLogP4.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Carboxy-n-pentyl)succinimide
CID 303580
Decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837637
Undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837638
Nonyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 70682128
Dodecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 70684243
3-[(2S)-1-(2-oxododecanoyl)pyrrolidin-2-yl]propanoic acid
CID 11371200
3-[(2S)-1-(2-oxopentadecanoyl)pyrrolidin-2-yl]propanoic acid
CID 11372460
7-(2-Octyl-5-oxopyrrolidin-1-yl)heptanoic acid
CID 85908399
11-(2,5-Dioxopyrrolidin-1-yl)undecanoic acid
CID 303577
2,5-Dioxo-1-pyrrolidineoctanoic acid
CID 10562086
11-deoxy-13,14-dihydro-8-azaprostaglandin E(1)
CID 191636
7-[Acetyl(6-carboxyhexyl)amino]heptanoic acid
CID 15084878

Frequently Asked Questions

What is the IUPAC name of 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid?
The IUPAC name of 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid (CID 22759205) is 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid.
What is the SMILES notation for 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid?
The canonical SMILES for 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid is O=C(O)CCCCCCCCCCCCCCCN1C(=O)CCC1=O.
What is the InChIKey of 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid?
The InChIKey is OQZCOTGPLJPKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c22-18-15-16-19(23)21(18)17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20(24)25/h1-17H2,(H,24,25).
What are the key properties of 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid?
16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid has a molecular weight of 353.50 g/mol, XLogP of 4.68, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2,5-dioxopyrrolidin-1-yl)hexadecanoic acid is sourced from PubChem (CID 22759205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).