methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate

C11H16N2O2 — CID 104822729

IUPACmethyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
SMILESCOC(=O)C(CN)Cc1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-10(6-12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyKJADLNCTALBOHS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.68
Rot. Bonds4

About methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate

methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate (PubChem CID 104822729) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
PubChem CID104822729
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
SMILESCOC(=O)C(CN)Cc1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-10(6-12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyKJADLNCTALBOHS-UHFFFAOYSA-N
XLogP0.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-3-(4-methylphenyl)propanoate
CID 43148192
methyl 2-(aminomethyl)-3-(4-tert-butylphenyl)propanoate
CID 43148220
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
methyl 2-(aminomethyl)-3-(4-methylsulfonylphenyl)propanoate
CID 156849990
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
methyl 2-(aminomethyl)-3-(3-methylphenyl)propanoate;hydrochloride
CID 50988546
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate (CID 104822729) is methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate is COC(=O)C(CN)Cc1ccc(C)nc1.
What is the InChIKey of methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate?
The InChIKey is KJADLNCTALBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-10(6-12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate?
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate is sourced from PubChem (CID 104822729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).