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

C8H15NO2 — CID 165467481

IUPAC1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one
SMILESCCCC(=O)[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-2-3-7(10)8-6(9)4-5-11-8/h6,8H,2-5,9H2,1H3/t6-,8+/m0/s1
InChIKeyZKTYOGCKNSXUTQ-POYBYMJQSA-N
MW157.21 g/mol
LogP0.47
Rot. Bonds3

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

1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one (PubChem CID 165467481) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one
PubChem CID165467481
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one
SMILESCCCC(=O)[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-2-3-7(10)8-6(9)4-5-11-8/h6,8H,2-5,9H2,1H3/t6-,8+/m0/s1
InChIKeyZKTYOGCKNSXUTQ-POYBYMJQSA-N
XLogP0.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one?
The IUPAC name of 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one (CID 165467481) is 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one.
What is the SMILES notation for 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one?
The canonical SMILES for 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one is CCCC(=O)[C@@H]1OCC[C@@H]1N.
What is the InChIKey of 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one?
The InChIKey is ZKTYOGCKNSXUTQ-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-7(10)8-6(9)4-5-11-8/h6,8H,2-5,9H2,1H3/t6-,8+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one?
1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-aminooxolan-2-yl]butan-1-one is sourced from PubChem (CID 165467481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).