tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate

C17H19NO3 — CID 70699579

IUPACtert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2O)c(N)c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)21-16(20)11-8-9-12(14(18)10-11)13-6-4-5-7-15(13)19/h4-10,19H,18H2,1-3H3
InChIKeyBIZMTBULASVUNR-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate

tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate (PubChem CID 70699579) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate
PubChem CID70699579
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nametert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(-c2ccccc2O)c(N)c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)21-16(20)11-8-9-12(14(18)10-11)13-6-4-5-7-15(13)19/h4-10,19H,18H2,1-3H3
InChIKeyBIZMTBULASVUNR-UHFFFAOYSA-N
XLogP3.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.60
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 3-amino-4-(4-hydroxy-3-methylphenyl)benzoate
CID 135741474
tert-butyl 3-amino-4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 174446374
tert-butyl 3-hydroxy-4-(4-methylphenyl)benzoate
CID 175791059
tert-butyl 4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]benzoate
CID 173271816
tert-butyl 4-acetamido-3-aminobenzoate
CID 11032294
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 3-tert-butyl-4-hydroxybenzoate
CID 86036715
tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate
CID 67091597
2-O-tert-butyl 7-O-methyl 9H-fluorene-2,7-dicarboxylate
CID 174490789
ethyl 4-(2-hydroxyphenyl)-3-methylbenzoate
CID 166940707
CID 162139404
CID 162139404
tert-butyl 4-(2-methylphenyl)benzoate
CID 139686014

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate?
The IUPAC name of tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate (CID 70699579) is tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate.
What is the SMILES notation for tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate?
The canonical SMILES for tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate is CC(C)(C)OC(=O)c1ccc(-c2ccccc2O)c(N)c1.
What is the InChIKey of tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate?
The InChIKey is BIZMTBULASVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)21-16(20)11-8-9-12(14(18)10-11)13-6-4-5-7-15(13)19/h4-10,19H,18H2,1-3H3.
What are the key properties of tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate?
tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-(2-hydroxyphenyl)benzoate is sourced from PubChem (CID 70699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).