tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate

C10H14N2O3 — CID 133060838

IUPACtert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ncc(N)cc1O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)8-7(13)4-6(11)5-12-8/h4-5,13H,11H2,1-3H3
InChIKeyFCHNWIHPPWGLCR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.32
Rot. Bonds1

About tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate

tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate (PubChem CID 133060838) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
PubChem CID133060838
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ncc(N)cc1O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)8-7(13)4-6(11)5-12-8/h4-5,13H,11H2,1-3H3
InChIKeyFCHNWIHPPWGLCR-UHFFFAOYSA-N
XLogP1.32
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-amino-3-iodopyridine-2-carboxylate
CID 133060051
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl 5-hydroxy-3-iodopyridine-2-carboxylate
CID 133063899
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
CID 175130774
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
tert-butyl 6-amino-5-methylpyridine-3-carboxylate
CID 135394582
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
tert-butyl 2-amino-4-bromo-6-hydroxybenzoate
CID 167717937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate (CID 133060838) is tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate is CC(C)(C)OC(=O)c1ncc(N)cc1O.
What is the InChIKey of tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate?
The InChIKey is FCHNWIHPPWGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)8-7(13)4-6(11)5-12-8/h4-5,13H,11H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate?
tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 133060838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).