2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid

C17H20N2O2 — CID 106509251

IUPAC2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
SMILESCc1ccc(C(CN)(CCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-13-4-6-15(7-5-13)17(12-18,16(20)21)9-8-14-3-2-10-19-11-14/h2-7,10-11H,8-9,12,18H2,1H3,(H,20,21)
InChIKeyXMWPFNMZVVISNO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds6

About 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid

2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid (PubChem CID 106509251) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
PubChem CID106509251
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
SMILESCc1ccc(C(CN)(CCc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C17H20N2O2/c1-13-4-6-15(7-5-13)17(12-18,16(20)21)9-8-14-3-2-10-19-11-14/h2-7,10-11H,8-9,12,18H2,1H3,(H,20,21)
InChIKeyXMWPFNMZVVISNO-UHFFFAOYSA-N
XLogP2.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
CID 106489353
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfonylbutanoic acid
CID 106509272
2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-(aminomethyl)-4-(4-methyl-1,3-thiazol-5-yl)-2-phenylbutanoic acid
CID 106489403
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
CID 106490734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid (CID 106509251) is 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid is Cc1ccc(C(CN)(CCc2cccnc2)C(=O)O)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid?
The InChIKey is XMWPFNMZVVISNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-4-6-15(7-5-13)17(12-18,16(20)21)9-8-14-3-2-10-19-11-14/h2-7,10-11H,8-9,12,18H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid?
2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.30, 6 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)-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 106509251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).