3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid

C13H24N2O2 — CID 55142183

IUPAC3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(NC2CCCCCC2)(C(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-15-9-8-13(10-15,12(16)17)14-11-6-4-2-3-5-7-11/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyLVEABQZWJAIMBO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.46
Rot. Bonds3

About 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid

3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 55142183) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID55142183
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(NC2CCCCCC2)(C(=O)O)C1
InChIInChI=1S/C13H24N2O2/c1-15-9-8-13(10-15,12(16)17)14-11-6-4-2-3-5-7-11/h11,14H,2-10H2,1H3,(H,16,17)
InChIKeyLVEABQZWJAIMBO-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid (CID 55142183) is 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid is CN1CCC(NC2CCCCCC2)(C(=O)O)C1.
What is the InChIKey of 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LVEABQZWJAIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-9-8-13(10-15,12(16)17)14-11-6-4-2-3-5-7-11/h11,14H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid?
3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55142183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).