3-(4-aminophenoxy)-2-hydroxypropanoic acid

C9H11NO4 — CID 166746246

IUPAC3-(4-aminophenoxy)-2-hydroxypropanoic acid
SMILESNc1ccc(OCC(O)C(=O)O)cc1
InChIInChI=1S/C9H11NO4/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)
InChIKeyKWPACQQVCNNPLZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.09
Rot. Bonds4

About 3-(4-aminophenoxy)-2-hydroxypropanoic acid

3-(4-aminophenoxy)-2-hydroxypropanoic acid (PubChem CID 166746246) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-aminophenoxy)-2-hydroxypropanoic acid
PubChem CID166746246
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-(4-aminophenoxy)-2-hydroxypropanoic acid
SMILESNc1ccc(OCC(O)C(=O)O)cc1
InChIInChI=1S/C9H11NO4/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8,11H,5,10H2,(H,12,13)
InChIKeyKWPACQQVCNNPLZ-UHFFFAOYSA-N
XLogP0.09
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.09
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'}

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Related Compounds

2-hydroxy-3-phenoxypropanoic acid
CID 67592895
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
2-(4-aminophenoxy)-1-ethoxyethanol
CID 54030825
2-hydroxy-3-phenoxypropanoic acid;2-(4-hydroxyphenoxy)propanoic acid
CID 126650060
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-2-hydroxypropanoic acid?
The IUPAC name of 3-(4-aminophenoxy)-2-hydroxypropanoic acid (CID 166746246) is 3-(4-aminophenoxy)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-aminophenoxy)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(4-aminophenoxy)-2-hydroxypropanoic acid is Nc1ccc(OCC(O)C(=O)O)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-2-hydroxypropanoic acid?
The InChIKey is KWPACQQVCNNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8,11H,5,10H2,(H,12,13).
What are the key properties of 3-(4-aminophenoxy)-2-hydroxypropanoic acid?
3-(4-aminophenoxy)-2-hydroxypropanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.09, 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-hydroxypropanoic acid is sourced from PubChem (CID 166746246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).