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

C25H45NO3 — CID 91695556

IUPACdodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-12-16-22/h22-23H,2-21H2,1H3
InChIKeyXMWJPOWOKKGBDE-UHFFFAOYSA-N
MW407.64 g/mol
LogP6.41
Rot. Bonds15

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

dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 91695556) has the molecular formula C25H45NO3 and a molecular weight of 407.64 g/mol. Its IUPAC name is dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID91695556
Molecular FormulaC25H45NO3
Molecular Weight407.64 g/mol
Exact Mass407.34
IUPAC Namedodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-12-16-22/h22-23H,2-21H2,1H3
InChIKeyXMWJPOWOKKGBDE-UHFFFAOYSA-N
XLogP6.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 56.41
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 dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 91695556) is dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCCCCCCCCCCCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is XMWJPOWOKKGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-12-16-22/h22-23H,2-21H2,1H3.
What are the key properties of dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 407.64 g/mol, XLogP of 6.41, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).