[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate

C9H14N2O5 — CID 829197

IUPAC[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyCJPKVVXKFYKNAU-YUMQZZPRSA-N
MW230.22 g/mol
LogP-0.24
Rot. Bonds2

About [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate

[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate (PubChem CID 829197) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
PubChem CID829197
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](OC(C)=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3/t7-,8-/m0/s1
InChIKeyCJPKVVXKFYKNAU-YUMQZZPRSA-N
XLogP-0.24
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate?
The IUPAC name of [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate (CID 829197) is [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate.
What is the SMILES notation for [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate?
The canonical SMILES for [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate is CC(=O)O[C@H]1[C@H](OC(C)=O)N(C)C(=O)N1C.
What is the InChIKey of [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate?
The InChIKey is CJPKVVXKFYKNAU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-5(12)15-7-8(16-6(2)13)11(4)9(14)10(7)3/h7-8H,1-4H3/t7-,8-/m0/s1.
What are the key properties of [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate?
[(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate has a molecular weight of 230.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl] acetate is sourced from PubChem (CID 829197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).