dodecyl pyrrolidine-2-carboxylate

C17H33NO2 — CID 22005788

IUPACdodecyl pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1
InChIInChI=1S/C17H33NO2/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
InChIKeyAGLMFMATDXOMMW-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.20
Rot. Bonds12

About dodecyl pyrrolidine-2-carboxylate

dodecyl pyrrolidine-2-carboxylate (PubChem CID 22005788) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is dodecyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namedodecyl pyrrolidine-2-carboxylate
PubChem CID22005788
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namedodecyl pyrrolidine-2-carboxylate
SMILESCCCCCCCCCCCCOC(=O)C1CCCN1
InChIInChI=1S/C17H33NO2/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
InChIKeyAGLMFMATDXOMMW-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of dodecyl pyrrolidine-2-carboxylate?
The IUPAC name of dodecyl pyrrolidine-2-carboxylate (CID 22005788) is dodecyl pyrrolidine-2-carboxylate.
What is the SMILES notation for dodecyl pyrrolidine-2-carboxylate?
The canonical SMILES for dodecyl pyrrolidine-2-carboxylate is CCCCCCCCCCCCOC(=O)C1CCCN1.
What is the InChIKey of dodecyl pyrrolidine-2-carboxylate?
The InChIKey is AGLMFMATDXOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/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.
What are the key properties of dodecyl pyrrolidine-2-carboxylate?
dodecyl pyrrolidine-2-carboxylate has a molecular weight of 283.46 g/mol, XLogP of 4.20, 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 is sourced from PubChem (CID 22005788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).