1-[(2S,3R)-3-aminooxolan-2-yl]ethanone

C6H11NO2 — CID 178199894

IUPAC1-[(2S,3R)-3-aminooxolan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCC[C@H]1N
InChIInChI=1S/C6H11NO2/c1-4(8)6-5(7)2-3-9-6/h5-6H,2-3,7H2,1H3/t5-,6-/m1/s1
InChIKeyIXLXLBQMKNNINI-PHDIDXHHSA-N
MW129.16 g/mol
LogP-0.31
Rot. Bonds1

About 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone

1-[(2S,3R)-3-aminooxolan-2-yl]ethanone (PubChem CID 178199894) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-3-aminooxolan-2-yl]ethanone
PubChem CID178199894
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[(2S,3R)-3-aminooxolan-2-yl]ethanone
SMILESCC(=O)[C@H]1OCC[C@H]1N
InChIInChI=1S/C6H11NO2/c1-4(8)6-5(7)2-3-9-6/h5-6H,2-3,7H2,1H3/t5-,6-/m1/s1
InChIKeyIXLXLBQMKNNINI-PHDIDXHHSA-N
XLogP-0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Aminooxolane-2-carbaldehyde
CID 22609762
4-Amino-5-ethyloxolan-3-one
CID 58736780
(5R,6R)-5-amino-6-methyloxan-3-one
CID 59107732
(4S,5S)-4-amino-5-ethyloxolan-3-one
CID 59107760
4-Amino-2-ethyloxolan-3-one
CID 142239534
4-Amino-5-ethyloxolan-3-one;ethane
CID 142239651
2-amino-1-[(2R)-oxolan-2-yl]propan-1-one
CID 146640351
(4R)-4-aminooxolane-2-carbaldehyde
CID 174912093
(4S)-4-aminooxolane-2-carbaldehyde
CID 174912908
2-Amino-1-(oxolan-2-yl)propan-1-one
CID 84020747
1-(3-Aminooxolan-2-yl)butan-1-one
CID 165462548
1-(3-Aminooxolan-2-yl)-2-methoxyethan-1-one
CID 165462549

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone (CID 178199894) is 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone is CC(=O)[C@H]1OCC[C@H]1N.
What is the InChIKey of 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone?
The InChIKey is IXLXLBQMKNNINI-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(8)6-5(7)2-3-9-6/h5-6H,2-3,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone?
1-[(2S,3R)-3-aminooxolan-2-yl]ethanone has a molecular weight of 129.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-aminooxolan-2-yl]ethanone is sourced from PubChem (CID 178199894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).