undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate

C22H39NO3 — CID 91695487

IUPACundecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-12-18-26-22(25)20-16-13-17-23(20)21(24)19-14-10-11-15-19/h19-20H,2-18H2,1H3
InChIKeyIEDSTRSITMZZMR-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.24
Rot. Bonds12

About undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate

undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 91695487) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameundecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID91695487
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Nameundecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-12-18-26-22(25)20-16-13-17-23(20)21(24)19-14-10-11-15-19/h19-20H,2-18H2,1H3
InChIKeyIEDSTRSITMZZMR-UHFFFAOYSA-N
XLogP5.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate (CID 91695487) is undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate is CCCCCCCCCCCOC(=O)C1CCCN1C(=O)C1CCCC1.
What is the InChIKey of undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is IEDSTRSITMZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-12-18-26-22(25)20-16-13-17-23(20)21(24)19-14-10-11-15-19/h19-20H,2-18H2,1H3.
What are the key properties of undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate?
undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 365.56 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).