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

C9H11NO3 — CID 105439251

IUPAC2-aminooxy-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(ON)C(=O)O)cc1
InChIInChI=1S/C9H11NO3/c1-6-2-4-7(5-3-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyUFSHYUYVGCXHDI-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.01
Rot. Bonds3

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

2-aminooxy-2-(4-methylphenyl)acetic acid (PubChem CID 105439251) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-aminooxy-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-aminooxy-2-(4-methylphenyl)acetic acid
PubChem CID105439251
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-aminooxy-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(ON)C(=O)O)cc1
InChIInChI=1S/C9H11NO3/c1-6-2-4-7(5-3-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyUFSHYUYVGCXHDI-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-hydroxyphenyl)acetic acid
CID 105440395
2-aminooxy-2-(3-methylphenyl)acetic acid
CID 105439252
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 67807121
2-methylpropanoic acid;1,4-xylene
CID 142846820
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
carbonic acid;1,4-xylene
CID 89415214
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
(2S)-2-(4-methylphenyl)-2-nitrosoacetic acid
CID 89021238
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-trimethylsilyloxyacetic acid
CID 23034522

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-aminooxy-2-(4-methylphenyl)acetic acid (CID 105439251) is 2-aminooxy-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-aminooxy-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-aminooxy-2-(4-methylphenyl)acetic acid is Cc1ccc(C(ON)C(=O)O)cc1.
What is the InChIKey of 2-aminooxy-2-(4-methylphenyl)acetic acid?
The InChIKey is UFSHYUYVGCXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-2-4-7(5-3-6)8(13-10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12).
What are the key properties of 2-aminooxy-2-(4-methylphenyl)acetic acid?
2-aminooxy-2-(4-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-(4-methylphenyl)acetic acid is sourced from PubChem (CID 105439251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).