tert-butyl 4-(hydroxyamino)benzoate

C11H15NO3 — CID 45089836

IUPACtert-butyl 4-(hydroxyamino)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(NO)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(13)8-4-6-9(12-14)7-5-8/h4-7,12,14H,1-3H3
InChIKeyNTEJFDNDHGLJGW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.44
Rot. Bonds2

About tert-butyl 4-(hydroxyamino)benzoate

tert-butyl 4-(hydroxyamino)benzoate (PubChem CID 45089836) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is tert-butyl 4-(hydroxyamino)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxyamino)benzoate
PubChem CID45089836
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Nametert-butyl 4-(hydroxyamino)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(NO)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-10(13)8-4-6-9(12-14)7-5-8/h4-7,12,14H,1-3H3
InChIKeyNTEJFDNDHGLJGW-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
tert-butyl 4-formamidobenzoate
CID 22291289
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
tert-butyl 4-isocyanobenzoate
CID 91619162
tert-butyl 4-(benzylamino)benzoate
CID 67130530
tert-butyl 4-(2,2-dicyanoethenylamino)benzoate
CID 168545502
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-[(3,3-dimethyl-1-oxobutan-2-yl)amino]benzoate
CID 143675549
CID 162139404
CID 162139404
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxyamino)benzoate?
The IUPAC name of tert-butyl 4-(hydroxyamino)benzoate (CID 45089836) is tert-butyl 4-(hydroxyamino)benzoate.
What is the SMILES notation for tert-butyl 4-(hydroxyamino)benzoate?
The canonical SMILES for tert-butyl 4-(hydroxyamino)benzoate is CC(C)(C)OC(=O)c1ccc(NO)cc1.
What is the InChIKey of tert-butyl 4-(hydroxyamino)benzoate?
The InChIKey is NTEJFDNDHGLJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)15-10(13)8-4-6-9(12-14)7-5-8/h4-7,12,14H,1-3H3.
What are the key properties of tert-butyl 4-(hydroxyamino)benzoate?
tert-butyl 4-(hydroxyamino)benzoate has a molecular weight of 209.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxyamino)benzoate is sourced from PubChem (CID 45089836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).