tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate

C15H17NO3 — CID 67091597

IUPACtert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(O)c(N)ccc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,3)19-14(18)10-4-6-11-9(8-10)5-7-12(16)13(11)17/h4-8,17H,16H2,1-3H3
InChIKeyPDCQNRSJAXASFA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.08
Rot. Bonds1

About tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate

tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate (PubChem CID 67091597) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate
PubChem CID67091597
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nametert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(O)c(N)ccc2c1
InChIInChI=1S/C15H17NO3/c1-15(2,3)19-14(18)10-4-6-11-9(8-10)5-7-12(16)13(11)17/h4-8,17H,16H2,1-3H3
InChIKeyPDCQNRSJAXASFA-UHFFFAOYSA-N
XLogP3.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Amino-2-hydroxyphenyl)benzoic acid
CID 11492332
4-Amino-3-hydroxy-2-naphthoic acid
CID 385620
2-Naphthalenecarboxylic acid, 5-amino-1-hydroxy-
CID 105415
5-Amino-1-hydroxy-2-naphthoic acid hydrochloride
CID 113104
(+/-)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl
CID 10427547
Methyl 6-(dimethylamino)-4-hydroxy-2-naphthoate
CID 22463772
Aminonaphthol-carbonsaure
CID 69644847
3'-Amino-5'-fluoro-2'-hydroxy-biphenyl-3-carboxylic acid
CID 21072315
Methyl 4-amino-7-fluoro-1-hydroxynaphthalene-2-carboxylate
CID 142755008
Fluoro 3-(3-amino-2-hydroxyphenyl)benzoate
CID 144892147
Methyl 4-amino-3-hydroxynaphthalene-2-carboxylate
CID 414054
Amino-hydroxynaphthal
CID 54562305

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate?
The IUPAC name of tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate (CID 67091597) is tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate is CC(C)(C)OC(=O)c1ccc2c(O)c(N)ccc2c1.
What is the InChIKey of tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate?
The InChIKey is PDCQNRSJAXASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)19-14(18)10-4-6-11-9(8-10)5-7-12(16)13(11)17/h4-8,17H,16H2,1-3H3.
What are the key properties of tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate?
tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-5-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 67091597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).