2-(5-amino-2-methoxyphenoxy)acetic acid

C9H11NO4 — CID 59419305

IUPAC2-(5-amino-2-methoxyphenoxy)acetic acid
SMILESCOc1ccc(N)cc1OCC(=O)O
InChIInChI=1S/C9H11NO4/c1-13-7-3-2-6(10)4-8(7)14-5-9(11)12/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyUDWAUYUUXPUHIV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.74
Rot. Bonds4

About 2-(5-amino-2-methoxyphenoxy)acetic acid

2-(5-amino-2-methoxyphenoxy)acetic acid (PubChem CID 59419305) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(5-amino-2-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-amino-2-methoxyphenoxy)acetic acid
PubChem CID59419305
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(5-amino-2-methoxyphenoxy)acetic acid
SMILESCOc1ccc(N)cc1OCC(=O)O
InChIInChI=1S/C9H11NO4/c1-13-7-3-2-6(10)4-8(7)14-5-9(11)12/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyUDWAUYUUXPUHIV-UHFFFAOYSA-N
XLogP0.74
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(5-amino-2-methoxyphenoxy)acetic acid (CID 59419305) is 2-(5-amino-2-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(5-amino-2-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(5-amino-2-methoxyphenoxy)acetic acid is COc1ccc(N)cc1OCC(=O)O.
What is the InChIKey of 2-(5-amino-2-methoxyphenoxy)acetic acid?
The InChIKey is UDWAUYUUXPUHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-7-3-2-6(10)4-8(7)14-5-9(11)12/h2-4H,5,10H2,1H3,(H,11,12).
What are the key properties of 2-(5-amino-2-methoxyphenoxy)acetic acid?
2-(5-amino-2-methoxyphenoxy)acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methoxyphenoxy)acetic acid is sourced from PubChem (CID 59419305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).