tert-butyl 2-amino-5-hydroxybenzoate

C11H15NO3 — CID 61405747

IUPACtert-butyl 2-amino-5-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-6-7(13)4-5-9(8)12/h4-6,13H,12H2,1-3H3
InChIKeyONLYLEZEDSSQOB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.93
Rot. Bonds1

About tert-butyl 2-amino-5-hydroxybenzoate

tert-butyl 2-amino-5-hydroxybenzoate (PubChem CID 61405747) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl 2-amino-5-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-hydroxybenzoate
PubChem CID61405747
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Nametert-butyl 2-amino-5-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-6-7(13)4-5-9(8)12/h4-6,13H,12H2,1-3H3
InChIKeyONLYLEZEDSSQOB-UHFFFAOYSA-N
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 53423671
tert-butyl 3-amino-5-hydroxy-2-methylbenzoate
CID 133056466
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046
(2-amino-5-hydroxyphenyl)-[tert-butyl(dimethyl)silyl]methanone
CID 140712461
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
tert-butyl 2,3-diamino-5-methylbenzoate
CID 81443568
cyclopropylmethyl 2-amino-5-hydroxybenzoate
CID 61405748
tert-butyl 2-amino-4-sulfamoylbenzoate
CID 66935050
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
tert-butyl 2-amino-4-bromo-6-hydroxybenzoate
CID 167717937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-hydroxybenzoate?
The IUPAC name of tert-butyl 2-amino-5-hydroxybenzoate (CID 61405747) is tert-butyl 2-amino-5-hydroxybenzoate.
What is the SMILES notation for tert-butyl 2-amino-5-hydroxybenzoate?
The canonical SMILES for tert-butyl 2-amino-5-hydroxybenzoate is CC(C)(C)OC(=O)c1cc(O)ccc1N.
What is the InChIKey of tert-butyl 2-amino-5-hydroxybenzoate?
The InChIKey is ONLYLEZEDSSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-6-7(13)4-5-9(8)12/h4-6,13H,12H2,1-3H3.
What are the key properties of tert-butyl 2-amino-5-hydroxybenzoate?
tert-butyl 2-amino-5-hydroxybenzoate has a molecular weight of 209.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-hydroxybenzoate is sourced from PubChem (CID 61405747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).