[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate

C10H17NO4 — CID 59040831

IUPAC[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate
SMILESCNC(=O)[C@H]1OC(OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H17NO4/c1-5-6(2)10(14-7(3)12)15-8(5)9(13)11-4/h5-6,8,10H,1-4H3,(H,11,13)/t5-,6+,8-,10?/m0/s1
InChIKeyHPQWVGZXKMYJQE-SHVUMQOBSA-N
MW215.25 g/mol
LogP0.29
Rot. Bonds2

About [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate

[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate (PubChem CID 59040831) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate
PubChem CID59040831
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate
SMILESCNC(=O)[C@H]1OC(OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H17NO4/c1-5-6(2)10(14-7(3)12)15-8(5)9(13)11-4/h5-6,8,10H,1-4H3,(H,11,13)/t5-,6+,8-,10?/m0/s1
InChIKeyHPQWVGZXKMYJQE-SHVUMQOBSA-N
XLogP0.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate?
The IUPAC name of [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate (CID 59040831) is [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate?
The canonical SMILES for [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate is CNC(=O)[C@H]1OC(OC(C)=O)[C@H](C)[C@@H]1C.
What is the InChIKey of [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate?
The InChIKey is HPQWVGZXKMYJQE-SHVUMQOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-6(2)10(14-7(3)12)15-8(5)9(13)11-4/h5-6,8,10H,1-4H3,(H,11,13)/t5-,6+,8-,10?/m0/s1.
What are the key properties of [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate?
[(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate has a molecular weight of 215.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5S)-3,4-dimethyl-5-(methylcarbamoyl)oxolan-2-yl] acetate is sourced from PubChem (CID 59040831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).