methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate

C12H18N2O2 — CID 43565155

IUPACmethyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-10(12(15)16-3)8-14(2)9-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3
InChIKeyZJJXKLQUZTZFAF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds5

About methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate

methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate (PubChem CID 43565155) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
PubChem CID43565155
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-10(12(15)16-3)8-14(2)9-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3
InChIKeyZJJXKLQUZTZFAF-UHFFFAOYSA-N
XLogP1.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 60966567
1-(methylamino)-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 43564841
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
1-chloro-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 112561273
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate (CID 43565155) is methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate is COC(=O)C(C)CN(C)Cc1ccccn1.
What is the InChIKey of methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate?
The InChIKey is ZJJXKLQUZTZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(12(15)16-3)8-14(2)9-11-6-4-5-7-13-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate?
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 43565155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).