tridecyl 5-oxopyrrolidine-2-carboxylate

C18H33NO3 — CID 21282539

IUPACtridecyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyOZOVXOAZDQCMAM-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.12
Rot. Bonds13

About tridecyl 5-oxopyrrolidine-2-carboxylate

tridecyl 5-oxopyrrolidine-2-carboxylate (PubChem CID 21282539) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is tridecyl 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametridecyl 5-oxopyrrolidine-2-carboxylate
PubChem CID21282539
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Nametridecyl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyOZOVXOAZDQCMAM-UHFFFAOYSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
octyl 5-oxopyrrolidine-2-carboxylate
CID 3861700
[(E)-docos-5-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316391
[(E)-icos-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316360
[(E)-icos-15-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316362
[(E)-octadec-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316325
[(E)-heptadec-4-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316300
dodec-4-enyl 5-oxopyrrolidine-2-carboxylate
CID 54310803
docosyl (2S)-4-oxoazetidine-2-carboxylate
CID 100921678

Frequently Asked Questions

What is the IUPAC name of tridecyl 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of tridecyl 5-oxopyrrolidine-2-carboxylate (CID 21282539) is tridecyl 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for tridecyl 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for tridecyl 5-oxopyrrolidine-2-carboxylate is CCCCCCCCCCCCCOC(=O)C1CCC(=O)N1.
What is the InChIKey of tridecyl 5-oxopyrrolidine-2-carboxylate?
The InChIKey is OZOVXOAZDQCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20).
What are the key properties of tridecyl 5-oxopyrrolidine-2-carboxylate?
tridecyl 5-oxopyrrolidine-2-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 21282539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).