3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid

C13H20N2O3 — CID 171489816

IUPAC3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
SMILESCOc1nc(C)ccc1CNCC(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-9-5-6-10(11(15-9)18-4)7-14-8-13(2,3)12(16)17/h5-6,14H,7-8H2,1-4H3,(H,16,17)
InChIKeyFKWZAPKCTLPEGB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.60
Rot. Bonds6

About 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid

3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid (PubChem CID 171489816) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
PubChem CID171489816
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
SMILESCOc1nc(C)ccc1CNCC(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-9-5-6-10(11(15-9)18-4)7-14-8-13(2,3)12(16)17/h5-6,14H,7-8H2,1-4H3,(H,16,17)
InChIKeyFKWZAPKCTLPEGB-UHFFFAOYSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methoxy-4,6-dimethylpyridin-3-yl)methanamine
CID 28064222
Nicotinamidoxime, 2-methoxy-6-methyl-
CID 9588655
[(2-Methoxy-4,6-dimethylpyridin-3-yl)methyl](methyl)amine
CID 62291728
(2-Methoxy-6-methylpyridin-4-yl)methanamine
CID 72216158
((6-Methoxypyridin-2-yl)methyl)((3-methyloxetan-3-yl)methyl)amine
CID 80130645
(2-Methoxy-6-methylpyridin-3-yl)methanamine
CID 20483658
1-(2-Methoxy-6-(trifluoromethyl)pyridin-3-yl)methanamine
CID 58873546
(2-Methoxy-4,6-dimethylpyridin-3-yl)methanamine dihydrochloride
CID 69278478
2-(6-Methoxypyridin-2-YL)-2-methylpropan-1-amine
CID 72211919
1-[(2-Methoxy-6-methyl-3-pyridinyl)methyl]-3-prop-2-enylurea
CID 53599951
4-[(6-Methoxy-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 100611862
(2S)-2-[(6-methoxy-2,4-dimethyl-3-pyridinyl)methylamino]butan-1-ol
CID 132361835

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid (CID 171489816) is 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid is COc1nc(C)ccc1CNCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid?
The InChIKey is FKWZAPKCTLPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-6-10(11(15-9)18-4)7-14-8-13(2,3)12(16)17/h5-6,14H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid?
3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 171489816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).