2-aminooxy-2-(4-hydroxyphenyl)acetic acid

C8H9NO4 — CID 105440395

IUPAC2-aminooxy-2-(4-hydroxyphenyl)acetic acid
SMILESNOC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C8H9NO4/c9-13-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
InChIKeyQNQHZFPOTVQDLU-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.41
Rot. Bonds3

About 2-aminooxy-2-(4-hydroxyphenyl)acetic acid

2-aminooxy-2-(4-hydroxyphenyl)acetic acid (PubChem CID 105440395) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-aminooxy-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-aminooxy-2-(4-hydroxyphenyl)acetic acid
PubChem CID105440395
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-aminooxy-2-(4-hydroxyphenyl)acetic acid
SMILESNOC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C8H9NO4/c9-13-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
InChIKeyQNQHZFPOTVQDLU-UHFFFAOYSA-N
XLogP0.41
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminooxy-2-(4-methylphenyl)acetic acid
CID 105439251
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
CID 105450460
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid
CID 67533355
CID 70480259
CID 70480259
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
benzene-1,4-diol;carbamic acid
CID 158152403
bis(benzene-1,4-diol);carbonic acid
CID 68999082
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
2-aminooxy-2-(2-aminophenyl)acetic acid
CID 88636633

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-aminooxy-2-(4-hydroxyphenyl)acetic acid (CID 105440395) is 2-aminooxy-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-aminooxy-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-aminooxy-2-(4-hydroxyphenyl)acetic acid is NOC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-aminooxy-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is QNQHZFPOTVQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c9-13-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12).
What are the key properties of 2-aminooxy-2-(4-hydroxyphenyl)acetic acid?
2-aminooxy-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 105440395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).