methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate

C13H20N2O2 — CID 79623760

IUPACmethyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCc1cccc(C)n1
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-11(15-10)8-14-9-13(2,3)12(16)17-4/h5-7,14H,8-9H2,1-4H3
InChIKeyJUFAKNKDIWUZSI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds5

About methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate

methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate (PubChem CID 79623760) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
PubChem CID79623760
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCc1cccc(C)n1
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-11(15-10)8-14-9-13(2,3)12(16)17-4/h5-7,14H,8-9H2,1-4H3
InChIKeyJUFAKNKDIWUZSI-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
CID 75519312
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 62322853
methyl (E)-2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]but-2-enoate
CID 103247844
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
methyl 3-[(3-chlorophenyl)methylamino]-2,2-dimethylpropanoate
CID 79623867
2-(chloromethyl)-2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-1-amine
CID 106252450

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate (CID 79623760) is methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate is COC(=O)C(C)(C)CNCc1cccc(C)n1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate?
The InChIKey is JUFAKNKDIWUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-5-7-11(15-10)8-14-9-13(2,3)12(16)17-4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate?
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate has a molecular weight of 236.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 79623760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).