ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate

C10H14N4O6 — CID 155490329

IUPACethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(C(=O)NCC(N)=O)C1=O
InChIInChI=1S/C10H14N4O6/c1-2-20-8(17)5-13-7(16)4-14(10(13)19)9(18)12-3-6(11)15/h2-5H2,1H3,(H2,11,15)(H,12,18)
InChIKeyHJPKFGAKRZKARF-UHFFFAOYSA-N
MW286.24 g/mol
LogP-1.99
Rot. Bonds5

About ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 155490329) has the molecular formula C10H14N4O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID155490329
Molecular FormulaC10H14N4O6
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Nameethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(C(=O)NCC(N)=O)C1=O
InChIInChI=1S/C10H14N4O6/c1-2-20-8(17)5-13-7(16)4-14(10(13)19)9(18)12-3-6(11)15/h2-5H2,1H3,(H2,11,15)(H,12,18)
InChIKeyHJPKFGAKRZKARF-UHFFFAOYSA-N
XLogP-1.99
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 2512407
(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-acetic acid ethyl ester
CID 654665
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
1-(2-Methoxyethyl)imidazolidine-2,4,5-trione
CID 16227693
Methyl 2-(2-oxoimidazolidin-1-yl)acetate
CID 84075258
Carbomethoxymethylhydantoin
CID 22993692
Ethyl 2,4-dioxoimidazolidine-1-acetate
CID 10773885
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
Ethyl 2-acetamido-2-(dimethylamino)acetate
CID 14860697
Methyl imidazolidin-4-one-2-carboxylate
CID 129653833
Ethyl 2-(2-tert-butyl-5-oxoimidazolidin-1-yl)acetate
CID 134894331
Ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 155490233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate (CID 155490329) is ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)CN(C(=O)NCC(N)=O)C1=O.
What is the InChIKey of ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is HJPKFGAKRZKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O6/c1-2-20-8(17)5-13-7(16)4-14(10(13)19)9(18)12-3-6(11)15/h2-5H2,1H3,(H2,11,15)(H,12,18).
What are the key properties of ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 286.24 g/mol, XLogP of -1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-amino-2-oxoethyl)carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 155490329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).