3-aminooxy-2-(4-hydroxyphenyl)propanoic acid

C9H11NO4 — CID 105450460

IUPAC3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
SMILESNOCC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H11NO4/c10-14-5-8(9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKeyNETZPSBVLMJMJF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.45
Rot. Bonds4

About 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid

3-aminooxy-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 105450460) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
PubChem CID105450460
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
SMILESNOCC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H11NO4/c10-14-5-8(9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKeyNETZPSBVLMJMJF-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
2-aminooxy-2-(4-hydroxyphenyl)acetic acid
CID 105440395
2-[4-(4-hydroxyphenyl)phenyl]-4-oxobutanoic acid
CID 141025701
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 71744426
(2R)-3-acetyloxy-2-(4-chlorophenyl)propanoic acid
CID 10538158
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
3-[4-[2-carboxy-2-(3,5-dihydroxyphenyl)ethoxy]phenoxy]-2-(3,5-dihydroxyphenyl)propanoic acid
CID 67652008
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988

Frequently Asked Questions

What is the IUPAC name of 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid (CID 105450460) is 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid is NOCC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is NETZPSBVLMJMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-14-5-8(9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13).
What are the key properties of 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid?
3-aminooxy-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 105450460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).