decyl (2S)-5-oxopyrrolidine-2-carboxylate

C15H27NO3 — CID 22839298

IUPACdecyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyYWXABWYIMLHFSQ-ZDUSSCGKSA-N
MW269.38 g/mol
LogP2.95
Rot. Bonds10

About decyl (2S)-5-oxopyrrolidine-2-carboxylate

decyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22839298) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is decyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedecyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22839298
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namedecyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyYWXABWYIMLHFSQ-ZDUSSCGKSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.95
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

tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
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 decyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of decyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 22839298) is decyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for decyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for decyl (2S)-5-oxopyrrolidine-2-carboxylate is CCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of decyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is YWXABWYIMLHFSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of decyl (2S)-5-oxopyrrolidine-2-carboxylate?
decyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22839298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).