[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate

C7H12N2O4 — CID 94839790

IUPAC[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@H]1NCN[C@H]1OC(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3/t6-,7+
InChIKeyHAYQQUILMWDOLN-KNVOCYPGSA-N
MW188.18 g/mol
LogP-1.08
Rot. Bonds2

About [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate

[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate (PubChem CID 94839790) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
PubChem CID94839790
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@H]1NCN[C@H]1OC(C)=O
InChIInChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3/t6-,7+
InChIKeyHAYQQUILMWDOLN-KNVOCYPGSA-N
XLogP-1.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 12026265
2-bicyclo[1.1.1]pentanyl acetate
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(2,3,4,5,6-pentahydroxycyclohexyl) acetate
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[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(1R,3S)-3-acetyloxy-5-bromocyclohexyl] acetate
CID 134901795
[(2S,3S,5R,6R)-2,3,4,5,6-pentachlorocyclohexyl] acetate
CID 101132735
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
(6-acetyloxycyclodecyl) acetate
CID 539578
ethane;piperidin-4-yl acetate
CID 144574283
[(3S)-morpholin-3-yl] acetate
CID 174732554
(4,4-difluoro-3-phenylpyrrolidin-2-yl) acetate
CID 123223931

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate?
The IUPAC name of [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate (CID 94839790) is [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate.
What is the SMILES notation for [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate?
The canonical SMILES for [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate is CC(=O)O[C@H]1NCN[C@H]1OC(C)=O.
What is the InChIKey of [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate?
The InChIKey is HAYQQUILMWDOLN-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)12-6-7(9-3-8-6)13-5(2)11/h6-9H,3H2,1-2H3/t6-,7+.
What are the key properties of [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate?
[(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate has a molecular weight of 188.18 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-acetyloxyimidazolidin-4-yl] acetate is sourced from PubChem (CID 94839790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).