ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate

C9H14N2O4 — CID 43242890

IUPACethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-7(12)6-10(2)9(11)14/h3-6H2,1-2H3
InChIKeyXPSWVQQPNKPUTM-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate

ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 43242890) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID43242890
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-7(12)6-10(2)9(11)14/h3-6H2,1-2H3
InChIKeyXPSWVQQPNKPUTM-UHFFFAOYSA-N
XLogP-0.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoate
CID 98186139
ethyl 3-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoate
CID 64835654
nonyl 8-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl-octylamino]octanoate
CID 155180199
ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate
CID 61021499
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
N-(2-amino-2-oxoethoxy)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 112550669

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 43242890) is ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate is CCOC(=O)CCN1C(=O)CN(C)C1=O.
What is the InChIKey of ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is XPSWVQQPNKPUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-7(12)6-10(2)9(11)14/h3-6H2,1-2H3.
What are the key properties of ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate?
ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 214.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 43242890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).