dodecyl pyrrolidine-2-carboxylate;hydrochloride

C17H34ClNO2 — CID 67900664

IUPACdodecyl pyrrolidine-2-carboxylate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-20-17(19)16-13-12-14-18-16;/h16,18H,2-15H2,1H3;1H
InChIKeyVRTXXQAIUCIBSV-UHFFFAOYSA-N
MW319.92 g/mol
LogP4.62
Rot. Bonds12

About dodecyl pyrrolidine-2-carboxylate;hydrochloride

dodecyl pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 67900664) has the molecular formula C17H34ClNO2 and a molecular weight of 319.92 g/mol. Its IUPAC name is dodecyl pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namedodecyl pyrrolidine-2-carboxylate;hydrochloride
PubChem CID67900664
Molecular FormulaC17H34ClNO2
Molecular Weight319.92 g/mol
Exact Mass319.23
IUPAC Namedodecyl pyrrolidine-2-carboxylate;hydrochloride
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-20-17(19)16-13-12-14-18-16;/h16,18H,2-15H2,1H3;1H
InChIKeyVRTXXQAIUCIBSV-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 54.62
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

Lauryl PCA
CID 173414
Cetyl PCA
CID 18654323
Ethyl L-prolinate hydrochloride
CID 11679912
Octadecyl 5-oxo-L-prolinate
CID 107611
Ethyl pyrrolidine-2-carboxylate hydrochloride
CID 12203801
H-D-Pro-oet hcl
CID 56777374
2,5-diethyl (2R,5R)-pyrrolidine-2,5-dicarboxylate hydrochloride
CID 69034724
2,5-diethyl (2R,5S)-pyrrolidine-2,5-dicarboxylate hydrochloride
CID 91754625
propan-2-yl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 91825814
Dodecyl 5-oxo-DL-prolinate
CID 90841
Proline cetyl ester
CID 126153
Octyl 5-oxo-L-prolinate
CID 107610

Frequently Asked Questions

What is the IUPAC name of dodecyl pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of dodecyl pyrrolidine-2-carboxylate;hydrochloride (CID 67900664) is dodecyl pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for dodecyl pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for dodecyl pyrrolidine-2-carboxylate;hydrochloride is CCCCCCCCCCCCOC(=O)C1CCCN1.Cl.
What is the InChIKey of dodecyl pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is VRTXXQAIUCIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-15-20-17(19)16-13-12-14-18-16;/h16,18H,2-15H2,1H3;1H.
What are the key properties of dodecyl pyrrolidine-2-carboxylate;hydrochloride?
dodecyl pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 67900664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).