tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate

C13H22N2O3 — CID 140981417

IUPACtert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate
SMILESCCC1=CC=C(N)C(O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7,12,17H,5,8,14H2,1-4H3
InChIKeyIIWOLGPWKXJKDD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate

tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate (PubChem CID 140981417) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate
PubChem CID140981417
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate
SMILESCCC1=CC=C(N)C(O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7,12,17H,5,8,14H2,1-4H3
InChIKeyIIWOLGPWKXJKDD-UHFFFAOYSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(2-iodoethyl)-4-oxoazetidin-1-yl]acetate
CID 121223083
ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-4-carboxylate
CID 130300143
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
CID 124662011
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
tert-butyl 2-[2-(azidomethyl)-5-oxopyrrolidin-1-yl]acetate
CID 18933252
tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
CID 123586260
tert-butyl 2-[(4R)-2-oxo-4-(3-oxo-3-phenylsulfanylpropyl)azetidin-1-yl]acetate
CID 143957858
tert-butyl 2-[6-[(4-aminophenyl)methyl]-4,8,11-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 122382577
tert-butyl 2-(5-iodo-3-methylpyrazol-1-yl)acetate
CID 135397508

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate (CID 140981417) is tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate is CCC1=CC=C(N)C(O)N1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate?
The InChIKey is IIWOLGPWKXJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-9-6-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h6-7,12,17H,5,8,14H2,1-4H3.
What are the key properties of tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate?
tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate has a molecular weight of 254.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-6-ethyl-2-hydroxy-2H-pyridin-1-yl)acetate is sourced from PubChem (CID 140981417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).