2-aminooxy-2-(2-aminophenyl)acetic acid

C8H10N2O3 — CID 88636633

IUPAC2-aminooxy-2-(2-aminophenyl)acetic acid
SMILESNOC(C(=O)O)c1ccccc1N
InChIInChI=1S/C8H10N2O3/c9-6-4-2-1-3-5(6)7(13-10)8(11)12/h1-4,7H,9-10H2,(H,11,12)
InChIKeyHKUNIPWZHOIFRM-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.28
Rot. Bonds3

About 2-aminooxy-2-(2-aminophenyl)acetic acid

2-aminooxy-2-(2-aminophenyl)acetic acid (PubChem CID 88636633) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-aminooxy-2-(2-aminophenyl)acetic acid.

Molecular Properties

Compound Name2-aminooxy-2-(2-aminophenyl)acetic acid
PubChem CID88636633
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-aminooxy-2-(2-aminophenyl)acetic acid
SMILESNOC(C(=O)O)c1ccccc1N
InChIInChI=1S/C8H10N2O3/c9-6-4-2-1-3-5(6)7(13-10)8(11)12/h1-4,7H,9-10H2,(H,11,12)
InChIKeyHKUNIPWZHOIFRM-UHFFFAOYSA-N
XLogP0.28
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-aminooxy-2-(2-aminophenyl)acetic acid?
The IUPAC name of 2-aminooxy-2-(2-aminophenyl)acetic acid (CID 88636633) is 2-aminooxy-2-(2-aminophenyl)acetic acid.
What is the SMILES notation for 2-aminooxy-2-(2-aminophenyl)acetic acid?
The canonical SMILES for 2-aminooxy-2-(2-aminophenyl)acetic acid is NOC(C(=O)O)c1ccccc1N.
What is the InChIKey of 2-aminooxy-2-(2-aminophenyl)acetic acid?
The InChIKey is HKUNIPWZHOIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6-4-2-1-3-5(6)7(13-10)8(11)12/h1-4,7H,9-10H2,(H,11,12).
What are the key properties of 2-aminooxy-2-(2-aminophenyl)acetic acid?
2-aminooxy-2-(2-aminophenyl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-(2-aminophenyl)acetic acid is sourced from PubChem (CID 88636633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).