methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate

C13H20N2O2 — CID 79406364

IUPACmethyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(13(16)17-4)11(2)15(3)9-12-5-7-14-8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyIMZQMGUVZJHBIV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds5

About methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate

methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate (PubChem CID 79406364) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
PubChem CID79406364
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(13(16)17-4)11(2)15(3)9-12-5-7-14-8-6-12/h5-8,10-11H,9H2,1-4H3
InChIKeyIMZQMGUVZJHBIV-UHFFFAOYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406233
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
3-[methyl(pyridin-4-ylmethyl)amino]butanehydrazide
CID 63571998
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate (CID 79406364) is methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate is COC(=O)C(C)C(C)N(C)Cc1ccncc1.
What is the InChIKey of methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate?
The InChIKey is IMZQMGUVZJHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(13(16)17-4)11(2)15(3)9-12-5-7-14-8-6-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate?
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate has a molecular weight of 236.31 g/mol, XLogP of 1.71, 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-4-ylmethyl)amino]butanoate is sourced from PubChem (CID 79406364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).