methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate

C10H15N3O5 — CID 110719068

IUPACmethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C10H15N3O5/c1-18-9(16)3-2-7(14)11-4-5-13-8(15)6-12-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,17)
InChIKeyDJQUYEPSGBJZKD-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.39
Rot. Bonds6

About methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate

methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate (PubChem CID 110719068) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate
PubChem CID110719068
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Namemethyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCN1C(=O)CNC1=O
InChIInChI=1S/C10H15N3O5/c1-18-9(16)3-2-7(14)11-4-5-13-8(15)6-12-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,17)
InChIKeyDJQUYEPSGBJZKD-UHFFFAOYSA-N
XLogP-1.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate
CID 35361183
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110719111
1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747884
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
N-(2-amino-2-ethylbutyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 119639591
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747875
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
CID 95339120

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate (CID 110719068) is methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCN1C(=O)CNC1=O.
What is the InChIKey of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate?
The InChIKey is DJQUYEPSGBJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-18-9(16)3-2-7(14)11-4-5-13-8(15)6-12-10(13)17/h2-6H2,1H3,(H,11,14)(H,12,17).
What are the key properties of methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate?
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate has a molecular weight of 257.25 g/mol, XLogP of -1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 110719068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).