2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid

C13H20N2O2 — CID 115430164

IUPAC2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1ccncc1C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQEYFUCAHNGQROW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds6

About 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid (PubChem CID 115430164) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
PubChem CID115430164
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNc1ccncc1C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyQEYFUCAHNGQROW-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid (CID 115430164) is 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid is CCC(CC)(CNc1ccncc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
The InChIKey is QEYFUCAHNGQROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(5-2,12(16)17)9-15-11-6-7-14-8-10(11)3/h6-8H,4-5,9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methyl-4-pyridinyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115430164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).