ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate

C17H27N3O5 — CID 75427428

IUPACethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C17H27N3O5/c1-4-25-14(22)11-7-8-12(10-11)18-13(21)6-5-9-20-15(23)17(2,3)19-16(20)24/h11-12H,4-10H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyMUMFLLBPHGHXDS-UHFFFAOYSA-N
MW353.42 g/mol
LogP0.94
Rot. Bonds7

About ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate

ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate (PubChem CID 75427428) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
PubChem CID75427428
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C17H27N3O5/c1-4-25-14(22)11-7-8-12(10-11)18-13(21)6-5-9-20-15(23)17(2,3)19-16(20)24/h11-12H,4-10H2,1-3H3,(H,18,21)(H,19,24)
InChIKeyMUMFLLBPHGHXDS-UHFFFAOYSA-N
XLogP0.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate (CID 75427428) is ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate?
The InChIKey is MUMFLLBPHGHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-4-25-14(22)11-7-8-12(10-11)18-13(21)6-5-9-20-15(23)17(2,3)19-16(20)24/h11-12H,4-10H2,1-3H3,(H,18,21)(H,19,24).
What are the key properties of ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate?
ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 75427428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).