3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid

C11H15NO4 — CID 114938478

IUPAC3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(C(O)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C11H15NO4/c1-11(2,10(14)15)9(13)7-4-5-8(16-3)12-6-7/h4-6,9,13H,1-3H3,(H,14,15)
InChIKeyLSTRWKXHNBFHRL-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.23
Rot. Bonds4

About 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid

3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid (PubChem CID 114938478) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
PubChem CID114938478
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(C(O)C(C)(C)C(=O)O)cn1
InChIInChI=1S/C11H15NO4/c1-11(2,10(14)15)9(13)7-4-5-8(16-3)12-6-7/h4-6,9,13H,1-3H3,(H,14,15)
InChIKeyLSTRWKXHNBFHRL-UHFFFAOYSA-N
XLogP1.23
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate
CID 134500574
(3S)-3-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7016833
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid (CID 114938478) is 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid is COc1ccc(C(O)C(C)(C)C(=O)O)cn1.
What is the InChIKey of 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid?
The InChIKey is LSTRWKXHNBFHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,10(14)15)9(13)7-4-5-8(16-3)12-6-7/h4-6,9,13H,1-3H3,(H,14,15).
What are the key properties of 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid?
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114938478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).