methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate

C11H15NO5 — CID 141342760

IUPACmethyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1OCCCON
InChIInChI=1S/C11H15NO5/c1-15-11(14)10-8(13)4-2-5-9(10)16-6-3-7-17-12/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyLDEUVURSTZUADS-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.84
Rot. Bonds6

About methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate

methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate (PubChem CID 141342760) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate
PubChem CID141342760
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1OCCCON
InChIInChI=1S/C11H15NO5/c1-15-11(14)10-8(13)4-2-5-9(10)16-6-3-7-17-12/h2,4-5,13H,3,6-7,12H2,1H3
InChIKeyLDEUVURSTZUADS-UHFFFAOYSA-N
XLogP0.84
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
methyl 2-amino-6-(3-hydroxybutoxy)benzoate
CID 107341826
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
6-(3-hydroxy-2-methoxycarbonylphenoxy)-2-methylidene-6-oxohexanoic acid
CID 91103361
methyl 2-hydroxy-6-(2-oxoethyl)benzoate
CID 134973194
dimethyl 3-(2-amino-2-oxoethoxy)benzene-1,2-dicarboxylate
CID 130178407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate?
The IUPAC name of methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate (CID 141342760) is methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate.
What is the SMILES notation for methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate?
The canonical SMILES for methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate is COC(=O)c1c(O)cccc1OCCCON.
What is the InChIKey of methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate?
The InChIKey is LDEUVURSTZUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-11(14)10-8(13)4-2-5-9(10)16-6-3-7-17-12/h2,4-5,13H,3,6-7,12H2,1H3.
What are the key properties of methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate?
methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate has a molecular weight of 241.24 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate is sourced from PubChem (CID 141342760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).