methyl 2-oxoimidazolidine-1-carboxylate

C5H8N2O3 — CID 11788357

IUPACmethyl 2-oxoimidazolidine-1-carboxylate
SMILESCOC(=O)N1CCNC1=O
InChIInChI=1S/C5H8N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H2,1H3,(H,6,8)
InChIKeyALAMAKIJRBWNFG-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.22
Rot. Bonds

About methyl 2-oxoimidazolidine-1-carboxylate

methyl 2-oxoimidazolidine-1-carboxylate (PubChem CID 11788357) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxoimidazolidine-1-carboxylate
PubChem CID11788357
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Namemethyl 2-oxoimidazolidine-1-carboxylate
SMILESCOC(=O)N1CCNC1=O
InChIInChI=1S/C5H8N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H2,1H3,(H,6,8)
InChIKeyALAMAKIJRBWNFG-UHFFFAOYSA-N
XLogP-0.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxoimidazolidine-1-carboxylate?
The IUPAC name of methyl 2-oxoimidazolidine-1-carboxylate (CID 11788357) is methyl 2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for methyl 2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for methyl 2-oxoimidazolidine-1-carboxylate is COC(=O)N1CCNC1=O.
What is the InChIKey of methyl 2-oxoimidazolidine-1-carboxylate?
The InChIKey is ALAMAKIJRBWNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-10-5(9)7-3-2-6-4(7)8/h2-3H2,1H3,(H,6,8).
What are the key properties of methyl 2-oxoimidazolidine-1-carboxylate?
methyl 2-oxoimidazolidine-1-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 11788357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).