2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid

C17H20N2O2 — CID 106490734

IUPAC2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cncc(CC(CN)(C(=O)O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-15(7-12)17(11-18,16(20)21)8-14-6-13(2)9-19-10-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,20,21)
InChIKeyAIIUUEJYPZENIU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.22
Rot. Bonds5

About 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid

2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid (PubChem CID 106490734) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
PubChem CID106490734
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cncc(CC(CN)(C(=O)O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-15(7-12)17(11-18,16(20)21)8-14-6-13(2)9-19-10-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,20,21)
InChIKeyAIIUUEJYPZENIU-UHFFFAOYSA-N
XLogP2.22
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
2-(aminomethyl)-2-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067078
2-(aminomethyl)-4-hydroxy-2-(3-methylphenyl)pentanoic acid
CID 106490768
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
2-[(3-methylphenyl)methyl]-3-(5-methyl-3-pyridinyl)propanoic acid
CID 102877599
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
CID 106509251
3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid (CID 106490734) is 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid is Cc1cncc(CC(CN)(C(=O)O)c2cccc(C)c2)c1.
What is the InChIKey of 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid?
The InChIKey is AIIUUEJYPZENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-3-5-15(7-12)17(11-18,16(20)21)8-14-6-13(2)9-19-10-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid?
2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 106490734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).