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

C11H16N2O2 — CID 63305760

IUPACmethyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ncccc1C
InChIInChI=1S/C11H16N2O2/c1-8-5-4-6-12-10(8)7-13-9(2)11(14)15-3/h4-6,9,13H,7H2,1-3H3
InChIKeyFYXSTLYZBAKFPG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds4

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

methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate (PubChem CID 63305760) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
PubChem CID63305760
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ncccc1C
InChIInChI=1S/C11H16N2O2/c1-8-5-4-6-12-10(8)7-13-9(2)11(14)15-3/h4-6,9,13H,7H2,1-3H3
InChIKeyFYXSTLYZBAKFPG-UHFFFAOYSA-N
XLogP1.04
TPSA51.22 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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
methyl 2-(pyrimidin-2-ylmethylamino)propanoate
CID 62699544
N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306339
methyl 2-bromo-3-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 103251194
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
methyl (2S)-3-(1H-imidazol-5-yl)-2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 139821931
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate (CID 63305760) is methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate is COC(=O)C(C)NCc1ncccc1C.
What is the InChIKey of methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate?
The InChIKey is FYXSTLYZBAKFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-5-4-6-12-10(8)7-13-9(2)11(14)15-3/h4-6,9,13H,7H2,1-3H3.
What are the key properties of methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate?
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 63305760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).