ethenylcarbamoyl(methyl)carbamic acid

C5H8N2O3 — CID 54361286

IUPACethenylcarbamoyl(methyl)carbamic acid
SMILESC=CNC(=O)N(C)C(=O)O
InChIInChI=1S/C5H8N2O3/c1-3-6-4(8)7(2)5(9)10/h3H,1H2,2H3,(H,6,8)(H,9,10)
InChIKeyUMRPVYBROWAZBK-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.45
Rot. Bonds1

About ethenylcarbamoyl(methyl)carbamic acid

ethenylcarbamoyl(methyl)carbamic acid (PubChem CID 54361286) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is ethenylcarbamoyl(methyl)carbamic acid.

Molecular Properties

Compound Nameethenylcarbamoyl(methyl)carbamic acid
PubChem CID54361286
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Nameethenylcarbamoyl(methyl)carbamic acid
SMILESC=CNC(=O)N(C)C(=O)O
InChIInChI=1S/C5H8N2O3/c1-3-6-4(8)7(2)5(9)10/h3H,1H2,2H3,(H,6,8)(H,9,10)
InChIKeyUMRPVYBROWAZBK-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethenylcarbamoyl(methyl)carbamic acid?
The IUPAC name of ethenylcarbamoyl(methyl)carbamic acid (CID 54361286) is ethenylcarbamoyl(methyl)carbamic acid.
What is the SMILES notation for ethenylcarbamoyl(methyl)carbamic acid?
The canonical SMILES for ethenylcarbamoyl(methyl)carbamic acid is C=CNC(=O)N(C)C(=O)O.
What is the InChIKey of ethenylcarbamoyl(methyl)carbamic acid?
The InChIKey is UMRPVYBROWAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3-6-4(8)7(2)5(9)10/h3H,1H2,2H3,(H,6,8)(H,9,10).
What are the key properties of ethenylcarbamoyl(methyl)carbamic acid?
ethenylcarbamoyl(methyl)carbamic acid has a molecular weight of 144.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcarbamoyl(methyl)carbamic acid is sourced from PubChem (CID 54361286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).