(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one

C7H13NO2 — CID 59116434

IUPAC(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
SMILESCNC1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)10-7(9)6(4)8-3/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1
InChIKeyDYGSCAXFMAGBSY-HVYQYDHPSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds1

About (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one

(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one (PubChem CID 59116434) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
PubChem CID59116434
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
SMILESCNC1C(=O)O[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-5(2)10-7(9)6(4)8-3/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1
InChIKeyDYGSCAXFMAGBSY-HVYQYDHPSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one?
The IUPAC name of (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one (CID 59116434) is (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one?
The canonical SMILES for (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one is CNC1C(=O)O[C@@H](C)[C@@H]1C.
What is the InChIKey of (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one?
The InChIKey is DYGSCAXFMAGBSY-HVYQYDHPSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)10-7(9)6(4)8-3/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1.
What are the key properties of (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one?
(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one is sourced from PubChem (CID 59116434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).