3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid

C14H22N2O3 — CID 55007839

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCOc1c(C)cnc(CN(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C14H22N2O3/c1-9-6-15-12(11(3)13(9)19-5)8-16(4)7-10(2)14(17)18/h6,10H,7-8H2,1-5H3,(H,17,18)
InChIKeyOVBFAHQAWOQPGL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds6

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 55007839) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID55007839
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCOc1c(C)cnc(CN(C)CC(C)C(=O)O)c1C
InChIInChI=1S/C14H22N2O3/c1-9-6-15-12(11(3)13(9)19-5)8-16(4)7-10(2)14(17)18/h6,10H,7-8H2,1-5H3,(H,17,18)
InChIKeyOVBFAHQAWOQPGL-UHFFFAOYSA-N
XLogP1.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
1-(azetidin-1-yl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-3-methylbutan-1-one
CID 90685122
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-propan-2-ylamino]butanoic acid
CID 60833618
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3-methylbutanoic acid
CID 105353626
(4-fluorophenyl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamic acid
CID 138557800
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
CID 76928126
(2R)-1-[4-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95757646

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid (CID 55007839) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid is COc1c(C)cnc(CN(C)CC(C)C(=O)O)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is OVBFAHQAWOQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-15-12(11(3)13(9)19-5)8-16(4)7-10(2)14(17)18/h6,10H,7-8H2,1-5H3,(H,17,18).
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).