2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid

C15H24N2O3 — CID 63065383

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1c(C)cnc(CN(CC(=O)O)CC(C)C)c1C
InChIInChI=1S/C15H24N2O3/c1-10(2)7-17(9-14(18)19)8-13-12(4)15(20-5)11(3)6-16-13/h6,10H,7-9H2,1-5H3,(H,18,19)
InChIKeyWFLWYIIVRBVOOG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.25
Rot. Bonds7

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63065383) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID63065383
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1c(C)cnc(CN(CC(=O)O)CC(C)C)c1C
InChIInChI=1S/C15H24N2O3/c1-10(2)7-17(9-14(18)19)8-13-12(4)15(20-5)11(3)6-16-13/h6,10H,7-9H2,1-5H3,(H,18,19)
InChIKeyWFLWYIIVRBVOOG-UHFFFAOYSA-N
XLogP2.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid with MolForge

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Related Compounds

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-propan-2-ylamino]butanoic acid
CID 60833618
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
CID 102583756
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
CID 76928126
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
1-(azetidin-1-yl)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-3-methylbutan-1-one
CID 90685122
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid (CID 63065383) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid is COc1c(C)cnc(CN(CC(=O)O)CC(C)C)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is WFLWYIIVRBVOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)7-17(9-14(18)19)8-13-12(4)15(20-5)11(3)6-16-13/h6,10H,7-9H2,1-5H3,(H,18,19).
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).