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

C13H20N2O2 — CID 79397097

IUPACmethyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCc1ncccc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-5-7-14-12(9)8-15-11(3)10(2)13(16)17-4/h5-7,10-11,15H,8H2,1-4H3
InChIKeyRLNCSVFLUBEMLG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds5

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

methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate (PubChem CID 79397097) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
PubChem CID79397097
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCc1ncccc1C
InChIInChI=1S/C13H20N2O2/c1-9-6-5-7-14-12(9)8-15-11(3)10(2)13(16)17-4/h5-7,10-11,15H,8H2,1-4H3
InChIKeyRLNCSVFLUBEMLG-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

methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306295
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
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
methyl 2-methyl-3-[(4-methylphenyl)methylamino]butanoate
CID 79391621
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate (CID 79397097) is methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate is COC(=O)C(C)C(C)NCc1ncccc1C.
What is the InChIKey of methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate?
The InChIKey is RLNCSVFLUBEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-5-7-14-12(9)8-15-11(3)10(2)13(16)17-4/h5-7,10-11,15H,8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate?
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate 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-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate is sourced from PubChem (CID 79397097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).