methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate

C13H19N3O5 — CID 80718920

IUPACmethyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1
InChIInChI=1S/C13H19N3O5/c1-21-12(19)8-15(9-4-2-3-5-9)11(18)7-16-10(17)6-14-13(16)20/h9H,2-8H2,1H3,(H,14,20)
InChIKeyTWWSRKBOLPFKCV-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.52
Rot. Bonds5

About methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate

methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate (PubChem CID 80718920) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate
PubChem CID80718920
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Namemethyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1
InChIInChI=1S/C13H19N3O5/c1-21-12(19)8-15(9-4-2-3-5-9)11(18)7-16-10(17)6-14-13(16)20/h9H,2-8H2,1H3,(H,14,20)
InChIKeyTWWSRKBOLPFKCV-UHFFFAOYSA-N
XLogP-0.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.52
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 methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate (CID 80718920) is methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate is COC(=O)CN(C(=O)CN1C(=O)CNC1=O)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate?
The InChIKey is TWWSRKBOLPFKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-21-12(19)8-15(9-4-2-3-5-9)11(18)7-16-10(17)6-14-13(16)20/h9H,2-8H2,1H3,(H,14,20).
What are the key properties of methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate?
methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate has a molecular weight of 297.31 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 80718920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).