3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea

C11H17N3O5 — CID 89020626

IUPAC3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
SMILESO=C(NCC1CO1)N(C[C@H]1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H17N3O5/c15-10(12-1-7-4-17-7)14(3-9-6-19-9)11(16)13-2-8-5-18-8/h7-9H,1-6H2,(H,12,15)(H,13,16)/t7?,8?,9-/m0/s1
InChIKeyGMVSPLGYWPXOBD-HACHORDNSA-N
MW271.27 g/mol
LogP-1.10
Rot. Bonds6

About 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea

3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea (PubChem CID 89020626) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea.

Molecular Properties

Compound Name3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
PubChem CID89020626
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
SMILESO=C(NCC1CO1)N(C[C@H]1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H17N3O5/c15-10(12-1-7-4-17-7)14(3-9-6-19-9)11(16)13-2-8-5-18-8/h7-9H,1-6H2,(H,12,15)(H,13,16)/t7?,8?,9-/m0/s1
InChIKeyGMVSPLGYWPXOBD-HACHORDNSA-N
XLogP-1.10
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea?
The IUPAC name of 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea (CID 89020626) is 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea.
What is the SMILES notation for 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea?
The canonical SMILES for 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea is O=C(NCC1CO1)N(C[C@H]1CO1)C(=O)NCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea?
The InChIKey is GMVSPLGYWPXOBD-HACHORDNSA-N. The full InChI is InChI=1S/C11H17N3O5/c15-10(12-1-7-4-17-7)14(3-9-6-19-9)11(16)13-2-8-5-18-8/h7-9H,1-6H2,(H,12,15)(H,13,16)/t7?,8?,9-/m0/s1.
What are the key properties of 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea?
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea has a molecular weight of 271.27 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea is sourced from PubChem (CID 89020626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).