methyl (4S)-2-oxoimidazolidine-4-carboxylate

C5H8N2O3 — CID 10606858

IUPACmethyl (4S)-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C5H8N2O3/c1-10-4(8)3-2-6-5(9)7-3/h3H,2H2,1H3,(H2,6,7,9)/t3-/m0/s1
InChIKeyDYARMGVFGYGGSF-VKHMYHEASA-N
MW144.13 g/mol
LogP-1.16
Rot. Bonds1

About methyl (4S)-2-oxoimidazolidine-4-carboxylate

methyl (4S)-2-oxoimidazolidine-4-carboxylate (PubChem CID 10606858) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl (4S)-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-oxoimidazolidine-4-carboxylate
PubChem CID10606858
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Namemethyl (4S)-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C5H8N2O3/c1-10-4(8)3-2-6-5(9)7-3/h3H,2H2,1H3,(H2,6,7,9)/t3-/m0/s1
InChIKeyDYARMGVFGYGGSF-VKHMYHEASA-N
XLogP-1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-oxoimidazolidine-4-carboxylate (CID 10606858) is methyl (4S)-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-oxoimidazolidine-4-carboxylate is COC(=O)[C@@H]1CNC(=O)N1.
What is the InChIKey of methyl (4S)-2-oxoimidazolidine-4-carboxylate?
The InChIKey is DYARMGVFGYGGSF-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O3/c1-10-4(8)3-2-6-5(9)7-3/h3H,2H2,1H3,(H2,6,7,9)/t3-/m0/s1.
What are the key properties of methyl (4S)-2-oxoimidazolidine-4-carboxylate?
methyl (4S)-2-oxoimidazolidine-4-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 10606858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).