[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate

C12H17NO5 — CID 59383507

IUPAC[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2O)C1=O
InChIInChI=1S/C12H17NO5/c1-7(14)18-10-6-11(16)13(12(10)17)8-4-2-3-5-9(8)15/h8-10,15H,2-6H2,1H3/t8-,9+,10-/m1/s1
InChIKeyHYGKAXSRCDSUKO-KXUCPTDWSA-N
MW255.27 g/mol
LogP-0.02
Rot. Bonds2

About [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate

[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate (PubChem CID 59383507) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
PubChem CID59383507
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2O)C1=O
InChIInChI=1S/C12H17NO5/c1-7(14)18-10-6-11(16)13(12(10)17)8-4-2-3-5-9(8)15/h8-10,15H,2-6H2,1H3/t8-,9+,10-/m1/s1
InChIKeyHYGKAXSRCDSUKO-KXUCPTDWSA-N
XLogP-0.02
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate (CID 59383507) is [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2O)C1=O.
What is the InChIKey of [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The InChIKey is HYGKAXSRCDSUKO-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H17NO5/c1-7(14)18-10-6-11(16)13(12(10)17)8-4-2-3-5-9(8)15/h8-10,15H,2-6H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate has a molecular weight of 255.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 59383507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).