tert-butyl 2-amino-4-bromo-6-hydroxybenzoate

C11H14BrNO3 — CID 167717937

IUPACtert-butyl 2-amino-4-bromo-6-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1c(N)cc(Br)cc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5,14H,13H2,1-3H3
InChIKeyIBPRMRLUBGTVTG-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.69
Rot. Bonds1

About tert-butyl 2-amino-4-bromo-6-hydroxybenzoate

tert-butyl 2-amino-4-bromo-6-hydroxybenzoate (PubChem CID 167717937) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is tert-butyl 2-amino-4-bromo-6-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-bromo-6-hydroxybenzoate
PubChem CID167717937
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Nametert-butyl 2-amino-4-bromo-6-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1c(N)cc(Br)cc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5,14H,13H2,1-3H3
InChIKeyIBPRMRLUBGTVTG-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
tert-butyl 3,5-dibromo-2-hydroxybenzoate
CID 15931183
tert-butyl 2-[(2-amino-4-bromophenyl)methylsulfonyl]acetate
CID 114382146
tert-butyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65382446
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
tert-butyl 2-amino-4-sulfamoylbenzoate
CID 66935050
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
tert-butyl 3-amino-5-hydroxy-2-methylbenzoate
CID 133056466
tert-butyl 5-bromo-2-sulfanylbenzoate
CID 174419688
tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
tert-butyl 3-bromo-2-hydroxy-6-methoxybenzoate
CID 170993430

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-bromo-6-hydroxybenzoate?
The IUPAC name of tert-butyl 2-amino-4-bromo-6-hydroxybenzoate (CID 167717937) is tert-butyl 2-amino-4-bromo-6-hydroxybenzoate.
What is the SMILES notation for tert-butyl 2-amino-4-bromo-6-hydroxybenzoate?
The canonical SMILES for tert-butyl 2-amino-4-bromo-6-hydroxybenzoate is CC(C)(C)OC(=O)c1c(N)cc(Br)cc1O.
What is the InChIKey of tert-butyl 2-amino-4-bromo-6-hydroxybenzoate?
The InChIKey is IBPRMRLUBGTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5,14H,13H2,1-3H3.
What are the key properties of tert-butyl 2-amino-4-bromo-6-hydroxybenzoate?
tert-butyl 2-amino-4-bromo-6-hydroxybenzoate has a molecular weight of 288.14 g/mol, XLogP of 2.69, 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-4-bromo-6-hydroxybenzoate is sourced from PubChem (CID 167717937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).