1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid

C14H27NO2 — CID 55165204

IUPAC1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC(C)CN1CCC(CCC)(C(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-6-12(3)10-15-9-8-14(11-15,7-5-2)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyZYJKVWZIVCJKGU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds7

About 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165204) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165204
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC(C)CN1CCC(CCC)(C(=O)O)C1
InChIInChI=1S/C14H27NO2/c1-4-6-12(3)10-15-9-8-14(11-15,7-5-2)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyZYJKVWZIVCJKGU-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid (CID 55165204) is 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC(C)CN1CCC(CCC)(C(=O)O)C1.
What is the InChIKey of 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is ZYJKVWZIVCJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-12(3)10-15-9-8-14(11-15,7-5-2)13(16)17/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).