3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid

C10H13NO4 — CID 86092479

IUPAC3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(COc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6,11H2,1H3,(H,12,13)
InChIKeyRANONAPYGFEYQB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.48
Rot. Bonds4

About 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid

3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid (PubChem CID 86092479) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
PubChem CID86092479
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(COc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6,11H2,1H3,(H,12,13)
InChIKeyRANONAPYGFEYQB-UHFFFAOYSA-N
XLogP0.48
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-(4-chlorophenoxy)-3-hydroxy-3-methylbutan-2-one
CID 58234227
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
methyl 3-[3-(4-aminophenoxy)propanoyloxy]-2,2-dimethylpropanoate
CID 79619794
5-[6-(4-aminophenoxy)hexoxy]benzene-1,3-dicarboxylic acid
CID 102321827
3-(4-iodophenoxy)-2,2-dimethylpropanoic acid
CID 79622093
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
6-(4-aminophenoxy)hexanoic acid
CID 3028577
[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
CID 129110948

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid (CID 86092479) is 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid is CC(O)(COc1ccc(N)cc1)C(=O)O.
What is the InChIKey of 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is RANONAPYGFEYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6,11H2,1H3,(H,12,13).
What are the key properties of 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid?
3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 86092479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).