2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

C17H20N2O2 — CID 106509265

IUPAC2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(CN)(Cc2ncccc2C)C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)17(11-18,16(20)21)10-15-13(2)4-3-9-19-15/h3-9H,10-11,18H2,1-2H3,(H,20,21)
InChIKeyIDXSURNOHHOWNN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.22
Rot. Bonds5

About 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid

2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 106509265) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID106509265
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(CN)(Cc2ncccc2C)C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)17(11-18,16(20)21)10-15-13(2)4-3-9-19-15/h3-9H,10-11,18H2,1-2H3,(H,20,21)
InChIKeyIDXSURNOHHOWNN-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

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Related Compounds

2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfonylbutanoic acid
CID 106509272
2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650926

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (CID 106509265) is 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1ccc(C(CN)(Cc2ncccc2C)C(=O)O)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is IDXSURNOHHOWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-7-14(8-6-12)17(11-18,16(20)21)10-15-13(2)4-3-9-19-15/h3-9H,10-11,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-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-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 106509265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).