methyl 2-(2-oxoimidazolidin-1-yl)propanoate

C7H12N2O3 — CID 115370601

IUPACmethyl 2-(2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCNC1=O
InChIInChI=1S/C7H12N2O3/c1-5(6(10)12-2)9-4-3-8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHAMCICCUAASBFZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.43
Rot. Bonds2

About methyl 2-(2-oxoimidazolidin-1-yl)propanoate

methyl 2-(2-oxoimidazolidin-1-yl)propanoate (PubChem CID 115370601) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 2-(2-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-oxoimidazolidin-1-yl)propanoate
PubChem CID115370601
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethyl 2-(2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCNC1=O
InChIInChI=1S/C7H12N2O3/c1-5(6(10)12-2)9-4-3-8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHAMCICCUAASBFZ-UHFFFAOYSA-N
XLogP-0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 2-(2-oxoimidazolidin-1-yl)propanoate (CID 115370601) is methyl 2-(2-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-oxoimidazolidin-1-yl)propanoate is COC(=O)C(C)N1CCNC1=O.
What is the InChIKey of methyl 2-(2-oxoimidazolidin-1-yl)propanoate?
The InChIKey is HAMCICCUAASBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(6(10)12-2)9-4-3-8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11).
What are the key properties of methyl 2-(2-oxoimidazolidin-1-yl)propanoate?
methyl 2-(2-oxoimidazolidin-1-yl)propanoate has a molecular weight of 172.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 115370601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).