[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate

C8H15NO3 — CID 142045986

IUPAC[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
SMILESCC(=O)OC1CC[C@H](C)O[C@@H]1N
InChIInChI=1S/C8H15NO3/c1-5-3-4-7(8(9)11-5)12-6(2)10/h5,7-8H,3-4,9H2,1-2H3/t5-,7?,8-/m0/s1
InChIKeyAGTHSSNEGXFANW-PZICIZFRSA-N
MW173.21 g/mol
LogP0.40
Rot. Bonds1

About [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate

[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate (PubChem CID 142045986) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
PubChem CID142045986
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
SMILESCC(=O)OC1CC[C@H](C)O[C@@H]1N
InChIInChI=1S/C8H15NO3/c1-5-3-4-7(8(9)11-5)12-6(2)10/h5,7-8H,3-4,9H2,1-2H3/t5-,7?,8-/m0/s1
InChIKeyAGTHSSNEGXFANW-PZICIZFRSA-N
XLogP0.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R,3R)-2,3-diaminocyclopentyl] acetate
CID 167445479
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
CID 142113480
(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2R)-2-chlorocyclobutyl] acetate
CID 54233991
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
9-oxabicyclo[3.3.1]nonan-2-yl acetate
CID 539323
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
[(2S,3S)-6-acetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 101465019
[(1S,2S,5S,6R)-6-methyl-2-bicyclo[3.3.1]nonanyl] acetate
CID 3086252

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate?
The IUPAC name of [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate (CID 142045986) is [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate?
The canonical SMILES for [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate is CC(=O)OC1CC[C@H](C)O[C@@H]1N.
What is the InChIKey of [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate?
The InChIKey is AGTHSSNEGXFANW-PZICIZFRSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-3-4-7(8(9)11-5)12-6(2)10/h5,7-8H,3-4,9H2,1-2H3/t5-,7?,8-/m0/s1.
What are the key properties of [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate?
[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate has a molecular weight of 173.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2-amino-6-methyloxan-3-yl] acetate is sourced from PubChem (CID 142045986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).