2-aminooxy-2-(3-methylphenyl)acetic acid

C9H11NO3 — CID 105439252

IUPAC2-aminooxy-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(ON)C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-2-4-7(5-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyJRXVIWAXZNLXOV-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.01
Rot. Bonds3

About 2-aminooxy-2-(3-methylphenyl)acetic acid

2-aminooxy-2-(3-methylphenyl)acetic acid (PubChem CID 105439252) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-aminooxy-2-(3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-aminooxy-2-(3-methylphenyl)acetic acid
PubChem CID105439252
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-aminooxy-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(ON)C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-6-3-2-4-7(5-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyJRXVIWAXZNLXOV-UHFFFAOYSA-N
XLogP1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
4-(3-methylphenyl)hepta-2,5-dienediamide
CID 54086053
2-aminooxy-2-(3-methylphenyl)ethanol
CID 105433392
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
2-(aminomethyl)-3-(3-methylphenyl)butanoic acid
CID 69268782
phenyl (2R)-2-(3-methylphenyl)propanoate
CID 141470933

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2-(3-methylphenyl)acetic acid?
The IUPAC name of 2-aminooxy-2-(3-methylphenyl)acetic acid (CID 105439252) is 2-aminooxy-2-(3-methylphenyl)acetic acid.
What is the SMILES notation for 2-aminooxy-2-(3-methylphenyl)acetic acid?
The canonical SMILES for 2-aminooxy-2-(3-methylphenyl)acetic acid is Cc1cccc(C(ON)C(=O)O)c1.
What is the InChIKey of 2-aminooxy-2-(3-methylphenyl)acetic acid?
The InChIKey is JRXVIWAXZNLXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-2-4-7(5-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12).
What are the key properties of 2-aminooxy-2-(3-methylphenyl)acetic acid?
2-aminooxy-2-(3-methylphenyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 105439252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).