methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate

C11H16N2O2 — CID 43398410

IUPACmethyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15-2)7-12-8-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyQMNYSGBLPGDYEY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate

methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate (PubChem CID 43398410) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
PubChem CID43398410
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15-2)7-12-8-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyQMNYSGBLPGDYEY-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896
methyl (2S,3S)-3-hydroxy-3-pyridin-4-yl-2-[(pyridin-2-ylmethylamino)methyl]propanoate
CID 25343339
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate (CID 43398410) is methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate is COC(=O)C(C)CNCc1ccccn1.
What is the InChIKey of methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
The InChIKey is QMNYSGBLPGDYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(11(14)15-2)7-12-8-10-5-3-4-6-13-10/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate?
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate has a molecular weight of 208.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate is sourced from PubChem (CID 43398410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).