(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one

C8H15NO2 — CID 143653951

IUPAC(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one
SMILESCCN[C@]1(C)CC(=O)O[C@H]1C
InChIInChI=1S/C8H15NO2/c1-4-9-8(3)5-7(10)11-6(8)2/h6,9H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyOTKUBYVVTYDYBC-POYBYMJQSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one

(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one (PubChem CID 143653951) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one
PubChem CID143653951
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one
SMILESCCN[C@]1(C)CC(=O)O[C@H]1C
InChIInChI=1S/C8H15NO2/c1-4-9-8(3)5-7(10)11-6(8)2/h6,9H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyOTKUBYVVTYDYBC-POYBYMJQSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one?
The IUPAC name of (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one (CID 143653951) is (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one is CCN[C@]1(C)CC(=O)O[C@H]1C.
What is the InChIKey of (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one?
The InChIKey is OTKUBYVVTYDYBC-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-8(3)5-7(10)11-6(8)2/h6,9H,4-5H2,1-3H3/t6-,8+/m0/s1.
What are the key properties of (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one?
(4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(ethylamino)-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 143653951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).