carbamoylurea;oxiran-2-ylmethyl carbamate

C6H12N4O5 — CID 87093166

IUPACcarbamoylurea;oxiran-2-ylmethyl carbamate
SMILESNC(=O)NC(N)=O.NC(=O)OCC1CO1
InChIInChI=1S/C4H7NO3.C2H5N3O2/c5-4(6)8-2-3-1-7-3;3-1(6)5-2(4)7/h3H,1-2H2,(H2,5,6);(H5,3,4,5,6,7)
InChIKeyCYBSGSPFKYOFHY-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.79
Rot. Bonds2

About carbamoylurea;oxiran-2-ylmethyl carbamate

carbamoylurea;oxiran-2-ylmethyl carbamate (PubChem CID 87093166) has the molecular formula C6H12N4O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is carbamoylurea;oxiran-2-ylmethyl carbamate.

Molecular Properties

Compound Namecarbamoylurea;oxiran-2-ylmethyl carbamate
PubChem CID87093166
Molecular FormulaC6H12N4O5
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC Namecarbamoylurea;oxiran-2-ylmethyl carbamate
SMILESNC(=O)NC(N)=O.NC(=O)OCC1CO1
InChIInChI=1S/C4H7NO3.C2H5N3O2/c5-4(6)8-2-3-1-7-3;3-1(6)5-2(4)7/h3H,1-2H2,(H2,5,6);(H5,3,4,5,6,7)
InChIKeyCYBSGSPFKYOFHY-UHFFFAOYSA-N
XLogP-1.79
TPSA163.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamoylurea;oxiran-2-ylmethyl carbamate?
The IUPAC name of carbamoylurea;oxiran-2-ylmethyl carbamate (CID 87093166) is carbamoylurea;oxiran-2-ylmethyl carbamate.
What is the SMILES notation for carbamoylurea;oxiran-2-ylmethyl carbamate?
The canonical SMILES for carbamoylurea;oxiran-2-ylmethyl carbamate is NC(=O)NC(N)=O.NC(=O)OCC1CO1.
What is the InChIKey of carbamoylurea;oxiran-2-ylmethyl carbamate?
The InChIKey is CYBSGSPFKYOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.C2H5N3O2/c5-4(6)8-2-3-1-7-3;3-1(6)5-2(4)7/h3H,1-2H2,(H2,5,6);(H5,3,4,5,6,7).
What are the key properties of carbamoylurea;oxiran-2-ylmethyl carbamate?
carbamoylurea;oxiran-2-ylmethyl carbamate has a molecular weight of 220.18 g/mol, XLogP of -1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;oxiran-2-ylmethyl carbamate is sourced from PubChem (CID 87093166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).