(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate

C11H21NO3 — CID 158170533

IUPAC(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
SMILESCCC1OC(N)C(OC(C)=O)C(C)C1C
InChIInChI=1S/C11H21NO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5,12H2,1-4H3
InChIKeyAFNPSRHYZRETSP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.28
Rot. Bonds2

About (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate

(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate (PubChem CID 158170533) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate.

Molecular Properties

Compound Name(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
PubChem CID158170533
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
SMILESCCC1OC(N)C(OC(C)=O)C(C)C1C
InChIInChI=1S/C11H21NO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5,12H2,1-4H3
InChIKeyAFNPSRHYZRETSP-UHFFFAOYSA-N
XLogP1.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-sulfanyloxan-3-yl] acetate
CID 158354110
[(2R,3S,4S,5S)-5-acetyloxy-2-ethyl-3,6-dimethyloxan-4-yl] acetate
CID 121295685
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
CID 118894761
[(2R,3S,4S,5R,6R)-2-acetyloxy-4-carbamoyloxy-6-ethyl-5-methyloxan-3-yl] acetate
CID 67967713
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-ethyl-2-methyloxan-3-yl] acetate
CID 90364742
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
[(5S)-3,4,5-triacetyloxy-6-(3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate
CID 148638377
2-[(2R,5S)-5-ethyl-3,4-dimethyloxolan-2-yl]ethyl acetate
CID 70905687
[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
CID 134194797
[(2R,4S,5S)-6-ethyl-2-[2-(2-hydroxyethyldisulfanyl)ethoxy]-4,5-dimethyloxan-3-yl] acetate
CID 130327848
[(3S,6R)-3,4-diacetyloxy-6-[(2R,4S,5R)-3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl]oxy-5-methyloxan-2-yl]methyl acetate
CID 70905933

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate?
The IUPAC name of (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate (CID 158170533) is (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate.
What is the SMILES notation for (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate?
The canonical SMILES for (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate is CCC1OC(N)C(OC(C)=O)C(C)C1C.
What is the InChIKey of (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate?
The InChIKey is AFNPSRHYZRETSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5,12H2,1-4H3.
What are the key properties of (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate?
(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate has a molecular weight of 215.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate is sourced from PubChem (CID 158170533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).