ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate

C9H14N2O4 — CID 58667873

IUPACethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-6-7(12)10(2)9(11)14/h3-6H2,1-2H3
InChIKeyNRRUZMYLWAKQHX-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate

ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate (PubChem CID 58667873) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate
PubChem CID58667873
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CC(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-6-7(12)10(2)9(11)14/h3-6H2,1-2H3
InChIKeyNRRUZMYLWAKQHX-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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate (CID 58667873) is ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate is CCOC(=O)CCN1CC(=O)N(C)C1=O.
What is the InChIKey of ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is NRRUZMYLWAKQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-15-8(13)4-5-11-6-7(12)10(2)9(11)14/h3-6H2,1-2H3.
What are the key properties of ethyl 3-(3-methyl-2,4-dioxoimidazolidin-1-yl)propanoate?
ethyl 3-(3-methyl-2,4-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-2,4-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 58667873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).