[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C16H22N2O5 — CID 95631623

IUPAC[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@@H]3CCOC3)CC2)C1=O
InChIInChI=1S/C16H22N2O5/c1-15(10-2-3-10)13(20)18(14(21)17-15)8-12(19)23-16(5-6-16)11-4-7-22-9-11/h10-11H,2-9H2,1H3,(H,17,21)/t11-,15-/m1/s1
InChIKeyWHHRSGUOKZLRNB-IAQYHMDHSA-N
MW322.36 g/mol
LogP0.82
Rot. Bonds5

About [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 95631623) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID95631623
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@@H]3CCOC3)CC2)C1=O
InChIInChI=1S/C16H22N2O5/c1-15(10-2-3-10)13(20)18(14(21)17-15)8-12(19)23-16(5-6-16)11-4-7-22-9-11/h10-11H,2-9H2,1H3,(H,17,21)/t11-,15-/m1/s1
InChIKeyWHHRSGUOKZLRNB-IAQYHMDHSA-N
XLogP0.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 95631623) is [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is C[C@]1(C2CC2)NC(=O)N(CC(=O)OC2([C@@H]3CCOC3)CC2)C1=O.
What is the InChIKey of [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is WHHRSGUOKZLRNB-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-15(10-2-3-10)13(20)18(14(21)17-15)8-12(19)23-16(5-6-16)11-4-7-22-9-11/h10-11H,2-9H2,1H3,(H,17,21)/t11-,15-/m1/s1.
What are the key properties of [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
[1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-oxolan-3-yl]cyclopropyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 95631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).