(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate

C20H35NO5 — CID 70110092

IUPAC(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1CC(=O)N(O)C1=O
InChIInChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)26-17-16-18(22)21(25)20(17)24/h17,25H,2-16H2,1H3
InChIKeySAIKZNDROISIBN-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.53
Rot. Bonds15

About (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate

(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate (PubChem CID 70110092) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate.

Molecular Properties

Compound Name(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
PubChem CID70110092
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC1CC(=O)N(O)C1=O
InChIInChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)26-17-16-18(22)21(25)20(17)24/h17,25H,2-16H2,1H3
InChIKeySAIKZNDROISIBN-UHFFFAOYSA-N
XLogP4.53
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

cyclopropyl decanoate
CID 154321154
(2-oxooxan-3-yl) hexanoate
CID 154966078
(1-hydroxy-2,5-dioxo-4-pentanoyloxypyrrolidin-3-yl) pentanoate
CID 22178419
(1-hydroxypiperidin-4-yl) octanoate
CID 21019115
[(2S,3R)-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate
CID 11359830
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
dodecanoyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 90778333
octadecanoyl 5-oxopyrrolidine-2-carboxylate
CID 21290752
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 101479757
cyclobutyl pentadecanoate
CID 46229794
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 102152298
(2,3,4,5,6-pentahydroxycyclohexyl) dodecanoate
CID 164776701

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate?
The IUPAC name of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate (CID 70110092) is (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate.
What is the SMILES notation for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate?
The canonical SMILES for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC1CC(=O)N(O)C1=O.
What is the InChIKey of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate?
The InChIKey is SAIKZNDROISIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)26-17-16-18(22)21(25)20(17)24/h17,25H,2-16H2,1H3.
What are the key properties of (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate?
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate has a molecular weight of 369.50 g/mol, XLogP of 4.53, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,5-dioxopyrrolidin-3-yl) hexadecanoate is sourced from PubChem (CID 70110092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).