3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid

C11H20N2O2 — CID 130871108

IUPAC3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
SMILESCN1CCCC1CN1CC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O2/c1-11(10(14)15)7-13(8-11)6-9-4-3-5-12(9)2/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyLSPYGDJPEKQCHX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.49
Rot. Bonds3

About 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid

3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid (PubChem CID 130871108) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
PubChem CID130871108
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid
SMILESCN1CCCC1CN1CC(C)(C(=O)O)C1
InChIInChI=1S/C11H20N2O2/c1-11(10(14)15)7-13(8-11)6-9-4-3-5-12(9)2/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyLSPYGDJPEKQCHX-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid (CID 130871108) is 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid is CN1CCCC1CN1CC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid?
The InChIKey is LSPYGDJPEKQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(10(14)15)7-13(8-11)6-9-4-3-5-12(9)2/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid?
3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 130871108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).