3-amino-2-aminooxybenzoic acid

C7H8N2O3 — CID 54335840

IUPAC3-amino-2-aminooxybenzoic acid
SMILESNOc1c(N)cccc1C(=O)O
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(10)11)6(5)12-9/h1-3H,8-9H2,(H,10,11)
InChIKeyTVKGOMZLMBQIKM-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.22
Rot. Bonds2

About 3-amino-2-aminooxybenzoic acid

3-amino-2-aminooxybenzoic acid (PubChem CID 54335840) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-amino-2-aminooxybenzoic acid.

Molecular Properties

Compound Name3-amino-2-aminooxybenzoic acid
PubChem CID54335840
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-amino-2-aminooxybenzoic acid
SMILESNOc1c(N)cccc1C(=O)O
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(10)11)6(5)12-9/h1-3H,8-9H2,(H,10,11)
InChIKeyTVKGOMZLMBQIKM-UHFFFAOYSA-N
XLogP0.22
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
3-amino-2-(2-hydroxy-2-methylpropanoyl)oxybenzoic acid
CID 117095958
3-amino-2-(3-fluoropropoxy)benzoic acid
CID 107077492
3-amino-2-(2-iodophenoxy)benzoic acid
CID 112579765
3-amino-2-(4-methylpentan-2-yloxy)benzoic acid
CID 112579635
3-amino-2-pentoxybenzoic acid
CID 112579762
5-aminonaphthalene-1-carboxylic acid;ethyl carbonochloridate
CID 174459938
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
bis(2-aminobenzoic acid);nickel
CID 73156847

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-aminooxybenzoic acid?
The IUPAC name of 3-amino-2-aminooxybenzoic acid (CID 54335840) is 3-amino-2-aminooxybenzoic acid.
What is the SMILES notation for 3-amino-2-aminooxybenzoic acid?
The canonical SMILES for 3-amino-2-aminooxybenzoic acid is NOc1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-aminooxybenzoic acid?
The InChIKey is TVKGOMZLMBQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(10)11)6(5)12-9/h1-3H,8-9H2,(H,10,11).
What are the key properties of 3-amino-2-aminooxybenzoic acid?
3-amino-2-aminooxybenzoic acid has a molecular weight of 168.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-aminooxybenzoic acid is sourced from PubChem (CID 54335840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).