nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

C22H39NO3 — CID 91695553

IUPACnonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-9-13-19/h19-20H,2-18H2,1H3
InChIKeyIIXBBSLZCGWSPR-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.24
Rot. Bonds12

About nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695553) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695553
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Namenonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C22H39NO3/c1-2-3-4-5-6-7-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-9-13-19/h19-20H,2-18H2,1H3
InChIKeyIIXBBSLZCGWSPR-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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Related Compounds

1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 44365450
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
L-Proline, N-valeryl-, hexadecyl ester
CID 91695473
dodecyl N-acetylprolinate
CID 129846608
l-Proline, N-(3-cyclopentylpropionyl)-, methyl ester
CID 531446
l-Proline, N-methoxycarbonyl-, tetradecyl ester
CID 6422725
l-Proline, N-methoxycarbonyl-, dodecyl ester
CID 6422731
l-Proline, N-methoxycarbonyl-, pentadecyl ester
CID 6422732
l-Proline, N-methoxycarbonyl-, hexadecyl ester
CID 6422733
l-Proline, N-methoxycarbonyl-, heptadecyl ester
CID 6422734
l-Proline, N-methoxycarbonyl-, octadecyl ester
CID 6422735
l-Proline, N-isobutoxycarbonyl-, octyl ester
CID 6424620

Frequently Asked Questions

What is the IUPAC name of nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 91695553) is nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is IIXBBSLZCGWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-10-18-26-22(25)20-14-11-17-23(20)21(24)16-15-19-12-8-9-13-19/h19-20H,2-18H2,1H3.
What are the key properties of nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
nonyl 1-(3-cyclopentylpropanoyl)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 nonyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).