2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid

C16H18N2O2 — CID 106489320

IUPAC2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cncc(CC(CN)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-7-13(10-18-9-12)8-16(11-17,15(19)20)14-5-3-2-4-6-14/h2-7,9-10H,8,11,17H2,1H3,(H,19,20)
InChIKeyYBKZVTBCKISXHN-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.91
Rot. Bonds5

About 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid

2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid (PubChem CID 106489320) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
PubChem CID106489320
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cncc(CC(CN)(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-7-13(10-18-9-12)8-16(11-17,15(19)20)14-5-3-2-4-6-14/h2-7,9-10H,8,11,17H2,1H3,(H,19,20)
InChIKeyYBKZVTBCKISXHN-UHFFFAOYSA-N
XLogP1.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(3-methylphenyl)-3-(5-methyl-3-pyridinyl)propanoic acid
CID 106490734
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
2-(aminomethyl)-2-phenyl-4-pyridin-3-ylbutanoic acid
CID 106489353
2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
CID 106509251
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
2-(aminomethyl)-2-(3-methylphenyl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107067078

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid (CID 106489320) is 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid is Cc1cncc(CC(CN)(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid?
The InChIKey is YBKZVTBCKISXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-7-13(10-18-9-12)8-16(11-17,15(19)20)14-5-3-2-4-6-14/h2-7,9-10H,8,11,17H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid?
2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-methyl-3-pyridinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 106489320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).