ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate

C8H13N3O3 — CID 138389169

IUPACethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate
SMILES[H]/N=C1\NC(=O)N(C)C1CC(=O)OCC
InChIInChI=1S/C8H13N3O3/c1-3-14-6(12)4-5-7(9)10-8(13)11(5)2/h5H,3-4H2,1-2H3,(H2,9,10,13)
InChIKeyONEFBDAPXVAGMH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.06
Rot. Bonds3

About ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate

ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate (PubChem CID 138389169) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate
PubChem CID138389169
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate
SMILES[H]/N=C1\NC(=O)N(C)C1CC(=O)OCC
InChIInChI=1S/C8H13N3O3/c1-3-14-6(12)4-5-7(9)10-8(13)11(5)2/h5H,3-4H2,1-2H3,(H2,9,10,13)
InChIKeyONEFBDAPXVAGMH-UHFFFAOYSA-N
XLogP-0.06
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)acetate
CID 138389539
4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388630
ethyl 2-(4-oxopyrrolidin-3-yl)acetate
CID 67937001
ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
CID 44614200
2-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)acetamide
CID 138389128
ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate
CID 163879757
(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one
CID 146014533
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448
2-[3-(cyclopropylmethyl)-5-imino-2-oxoimidazolidin-4-yl]-N-propylacetamide
CID 138391065
ethyl 2-(2-hydroxy-1-methyl-3H-indazol-3-yl)acetate
CID 175038908
4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate?
The IUPAC name of ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate (CID 138389169) is ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate is [H]/N=C1\NC(=O)N(C)C1CC(=O)OCC.
What is the InChIKey of ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate?
The InChIKey is ONEFBDAPXVAGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-14-6(12)4-5-7(9)10-8(13)11(5)2/h5H,3-4H2,1-2H3,(H2,9,10,13).
What are the key properties of ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate?
ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate has a molecular weight of 199.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate is sourced from PubChem (CID 138389169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).