2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid

C13H15NO5 — CID 54113679

IUPAC2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid
SMILESCC(C)(C)C(=O)ON=C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C13H15NO5/c1-13(2,3)12(18)19-14-10(11(16)17)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,16,17)
InChIKeyNIVQTMCOFWYSQN-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.77
Rot. Bonds3

About 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid

2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid (PubChem CID 54113679) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid
PubChem CID54113679
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid
SMILESCC(C)(C)C(=O)ON=C(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C13H15NO5/c1-13(2,3)12(18)19-14-10(11(16)17)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,16,17)
InChIKeyNIVQTMCOFWYSQN-UHFFFAOYSA-N
XLogP1.77
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid (CID 54113679) is 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid is CC(C)(C)C(=O)ON=C(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid?
The InChIKey is NIVQTMCOFWYSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(2,3)12(18)19-14-10(11(16)17)8-5-4-6-9(15)7-8/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid?
2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid has a molecular weight of 265.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyloxyimino)-2-(3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 54113679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).