3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C13H18N2O2 — CID 102786635

IUPAC3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(CN2CCC(C)C2C(=O)O)nc1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(14-7-9)8-15-6-5-10(2)12(15)13(16)17/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySQKKRJKJGJDHLX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 102786635) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID102786635
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(CN2CCC(C)C2C(=O)O)nc1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(14-7-9)8-15-6-5-10(2)12(15)13(16)17/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17)
InChIKeySQKKRJKJGJDHLX-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 102786635) is 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is Cc1ccc(CN2CCC(C)C2C(=O)O)nc1.
What is the InChIKey of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SQKKRJKJGJDHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-11(14-7-9)8-15-6-5-10(2)12(15)13(16)17/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).