3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid

C13H18N2O4 — CID 110837098

IUPAC3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
SMILESCN(C(=O)COc1cccnc1)C(C)(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(2,7-12(17)18)15(3)11(16)9-19-10-5-4-6-14-8-10/h4-6,8H,7,9H2,1-3H3,(H,17,18)
InChIKeyXXOKHPIWPIZILY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.17
Rot. Bonds6

About 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid

3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid (PubChem CID 110837098) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
PubChem CID110837098
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid
SMILESCN(C(=O)COc1cccnc1)C(C)(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-13(2,7-12(17)18)15(3)11(16)9-19-10-5-4-6-14-8-10/h4-6,8H,7,9H2,1-3H3,(H,17,18)
InChIKeyXXOKHPIWPIZILY-UHFFFAOYSA-N
XLogP1.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800
2-pyridin-3-yloxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110487966
3,3-dimethylbutanoic acid;3-fluoropyridine
CID 171538348
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
CID 91841175
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
N-(1-amino-2-methylpropan-2-yl)-3-pyridin-3-yloxypropanamide
CID 110834154
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid (CID 110837098) is 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid is CN(C(=O)COc1cccnc1)C(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid?
The InChIKey is XXOKHPIWPIZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,7-12(17)18)15(3)11(16)9-19-10-5-4-6-14-8-10/h4-6,8H,7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid?
3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl-(2-pyridin-3-yloxyacetyl)amino]butanoic acid is sourced from PubChem (CID 110837098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).