oxetan-3-yl 4-amino-2-hydroxybenzoate

C10H11NO4 — CID 102606824

IUPACoxetan-3-yl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OC2COC2)c(O)c1
InChIInChI=1S/C10H11NO4/c11-6-1-2-8(9(12)3-6)10(13)15-7-4-14-5-7/h1-3,7,12H,4-5,11H2
InChIKeyXTLZWDKJCRTRJZ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.53
Rot. Bonds2

About oxetan-3-yl 4-amino-2-hydroxybenzoate

oxetan-3-yl 4-amino-2-hydroxybenzoate (PubChem CID 102606824) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is oxetan-3-yl 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Nameoxetan-3-yl 4-amino-2-hydroxybenzoate
PubChem CID102606824
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Nameoxetan-3-yl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OC2COC2)c(O)c1
InChIInChI=1S/C10H11NO4/c11-6-1-2-8(9(12)3-6)10(13)15-7-4-14-5-7/h1-3,7,12H,4-5,11H2
InChIKeyXTLZWDKJCRTRJZ-UHFFFAOYSA-N
XLogP0.53
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxetan-3-yl 5-amino-2-methylbenzoate
CID 115669808
oxan-4-yl 2,4-diaminobenzoate
CID 61308285
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
ethenyl 4-amino-2-hydroxybenzoate
CID 21423592
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
oxetan-3-yl 3-amino-4-fluorobenzoate
CID 115669798
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
6-oxaspiro[4.5]decan-9-yl 4-amino-2-methylbenzoate
CID 79909247
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-amino-2-hydroxybenzoate?
The IUPAC name of oxetan-3-yl 4-amino-2-hydroxybenzoate (CID 102606824) is oxetan-3-yl 4-amino-2-hydroxybenzoate.
What is the SMILES notation for oxetan-3-yl 4-amino-2-hydroxybenzoate?
The canonical SMILES for oxetan-3-yl 4-amino-2-hydroxybenzoate is Nc1ccc(C(=O)OC2COC2)c(O)c1.
What is the InChIKey of oxetan-3-yl 4-amino-2-hydroxybenzoate?
The InChIKey is XTLZWDKJCRTRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-6-1-2-8(9(12)3-6)10(13)15-7-4-14-5-7/h1-3,7,12H,4-5,11H2.
What are the key properties of oxetan-3-yl 4-amino-2-hydroxybenzoate?
oxetan-3-yl 4-amino-2-hydroxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 102606824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).