2-hydroxyethyl 2-aminooxybenzoate

C9H11NO4 — CID 21127308

IUPAC2-hydroxyethyl 2-aminooxybenzoate
SMILESNOc1ccccc1C(=O)OCCO
InChIInChI=1S/C9H11NO4/c10-14-8-4-2-1-3-7(8)9(12)13-6-5-11/h1-4,11H,5-6,10H2
InChIKeyXOSICBXJJHHFER-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.09
Rot. Bonds4

About 2-hydroxyethyl 2-aminooxybenzoate

2-hydroxyethyl 2-aminooxybenzoate (PubChem CID 21127308) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-hydroxyethyl 2-aminooxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-aminooxybenzoate
PubChem CID21127308
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-hydroxyethyl 2-aminooxybenzoate
SMILESNOc1ccccc1C(=O)OCCO
InChIInChI=1S/C9H11NO4/c10-14-8-4-2-1-3-7(8)9(12)13-6-5-11/h1-4,11H,5-6,10H2
InChIKeyXOSICBXJJHHFER-UHFFFAOYSA-N
XLogP0.09
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
decyl 2-aminooxybenzoate
CID 21423599
2-(2-hydroxyethoxycarbonyl)benzoate
CID 7034609
2-O-(2-hydroxyethyl) 1-O-octyl benzene-1,2-dicarboxylate
CID 150225256
2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
1-O-(2-hydroxyethyl) 2-O-(2-methylprop-2-enoyl) benzene-1,2-dicarboxylate
CID 57249723
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-sulfanylbenzoate
CID 71446016
dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
CID 21326814
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-aminooxybenzoate?
The IUPAC name of 2-hydroxyethyl 2-aminooxybenzoate (CID 21127308) is 2-hydroxyethyl 2-aminooxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2-aminooxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2-aminooxybenzoate is NOc1ccccc1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-aminooxybenzoate?
The InChIKey is XOSICBXJJHHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-14-8-4-2-1-3-7(8)9(12)13-6-5-11/h1-4,11H,5-6,10H2.
What are the key properties of 2-hydroxyethyl 2-aminooxybenzoate?
2-hydroxyethyl 2-aminooxybenzoate has a molecular weight of 197.19 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-aminooxybenzoate is sourced from PubChem (CID 21127308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).