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

C16H18N2O2 — CID 106489353

IUPAC2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
SMILESNCC(CCc1cccnc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-12-16(15(19)20,14-6-2-1-3-7-14)9-8-13-5-4-10-18-11-13/h1-7,10-11H,8-9,12,17H2,(H,19,20)
InChIKeyUEWABJRWAGQKRR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.00
Rot. Bonds6

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

2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid (PubChem CID 106489353) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
PubChem CID106489353
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
SMILESNCC(CCc1cccnc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-12-16(15(19)20,14-6-2-1-3-7-14)9-8-13-5-4-10-18-11-13/h1-7,10-11H,8-9,12,17H2,(H,19,20)
InChIKeyUEWABJRWAGQKRR-UHFFFAOYSA-N
XLogP2.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
CID 106509251
2-(aminomethyl)-2-cyclopropyl-4-pyridin-3-ylbutanoic acid
CID 106489691
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
CID 106489320
2-(aminomethyl)-2-(2-fluorophenyl)-4-phenylbutanoic acid
CID 106490661
2-(aminomethyl)-4-(4-methyl-1,3-thiazol-5-yl)-2-phenylbutanoic acid
CID 106489403
2-benzyl-6-oxo-2-pyridin-3-ylhexanoic acid
CID 175912120
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid (CID 106489353) is 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid is NCC(CCc1cccnc1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid?
The InChIKey is UEWABJRWAGQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-12-16(15(19)20,14-6-2-1-3-7-14)9-8-13-5-4-10-18-11-13/h1-7,10-11H,8-9,12,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid?
2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 106489353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).