methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate

C11H16N2O2 — CID 176820341

IUPACmethyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccnc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-7-10(3-6-13-9)8-12-5-4-11(14)15-2/h3,6-7,12H,4-5,8H2,1-2H3
InChIKeyGHRFMAKXMCIGDC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds5

About methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate

methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate (PubChem CID 176820341) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
PubChem CID176820341
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
SMILESCOC(=O)CCNCc1ccnc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-7-10(3-6-13-9)8-12-5-4-11(14)15-2/h3,6-7,12H,4-5,8H2,1-2H3
InChIKeyGHRFMAKXMCIGDC-UHFFFAOYSA-N
XLogP1.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106752860
methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
CID 103437611
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate (CID 176820341) is methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate is COC(=O)CCNCc1ccnc(C)c1.
What is the InChIKey of methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate?
The InChIKey is GHRFMAKXMCIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-7-10(3-6-13-9)8-12-5-4-11(14)15-2/h3,6-7,12H,4-5,8H2,1-2H3.
What are the key properties of methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate?
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 176820341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).