methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate

C12H18N2O2 — CID 115353361

IUPACmethyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
SMILESCCC(NCc1ccc(C)nc1)C(=O)OC
InChIInChI=1S/C12H18N2O2/c1-4-11(12(15)16-3)14-8-10-6-5-9(2)13-7-10/h5-7,11,14H,4,8H2,1-3H3
InChIKeyJQPORWHPWSZYPG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds5

About methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate

methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate (PubChem CID 115353361) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
PubChem CID115353361
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
SMILESCCC(NCc1ccc(C)nc1)C(=O)OC
InChIInChI=1S/C12H18N2O2/c1-4-11(12(15)16-3)14-8-10-6-5-9(2)13-7-10/h5-7,11,14H,4,8H2,1-3H3
InChIKeyJQPORWHPWSZYPG-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]butanoate
CID 114283726
methyl 2-(1,2-oxazol-3-ylmethylamino)butanoate
CID 115353525
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate?
The IUPAC name of methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate (CID 115353361) is methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate is CCC(NCc1ccc(C)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate?
The InChIKey is JQPORWHPWSZYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-11(12(15)16-3)14-8-10-6-5-9(2)13-7-10/h5-7,11,14H,4,8H2,1-3H3.
What are the key properties of methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate?
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate has a molecular weight of 222.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate is sourced from PubChem (CID 115353361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).