4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid

C11H22N2O2 — CID 18723533

IUPAC4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCCN(CC)CC1CN(C)CC1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)7-9-6-12(3)8-10(9)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyCKKSBIDWBFDUBZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.59
Rot. Bonds5

About 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid

4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 18723533) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID18723533
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCCN(CC)CC1CN(C)CC1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-4-13(5-2)7-9-6-12(3)8-10(9)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyCKKSBIDWBFDUBZ-UHFFFAOYSA-N
XLogP0.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid (CID 18723533) is 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid is CCN(CC)CC1CN(C)CC1C(=O)O.
What is the InChIKey of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CKKSBIDWBFDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(5-2)7-9-6-12(3)8-10(9)11(14)15/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid?
4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 18723533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).