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

C12H17NO5 — CID 143380202

IUPAC[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N(C2CCCC[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-VXRWAFEHSA-N
MW255.27 g/mol
LogP-0.02
Rot. Bonds2

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

[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate (PubChem CID 143380202) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
PubChem CID143380202
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N(C2CCCC[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-VXRWAFEHSA-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'}

Analyze [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-[(1S,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58798140
(3R)-1-((1R,2R)-2-Hydroxycyclohex-1-yl)-2,5-dioxopyrrolidin-3-yl acetate
CID 58856246
[3-deuterio-1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58856253
[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 59383507
[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate
CID 66687374
[1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 68453982
(3R)-3-hydroxy-1-[(1R,2R)-2-propoxycyclohexyl]pyrrolidine-2,5-dione
CID 89630499
(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium
CID 140609860
[(2R,3R,4R)-1-[(1S,2S)-2-acetyloxycyclohexyl]-3,4-dihydroxy-5-oxopyrrolidin-2-yl]methyl acetate
CID 101011044
(1-Cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
CID 101212712
2-[1-(2-Cyclohexyloxybutanoyl)pyrrolidin-2-yl]acetic acid
CID 121943581
(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione
CID 140609861

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate (CID 143380202) is [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1CC(=O)N(C2CCCC[C@H]2O)C1=O.
What is the InChIKey of [(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
The InChIKey is HYGKAXSRCDSUKO-VXRWAFEHSA-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-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate?
[(3R)-1-[(2R)-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-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 143380202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).