2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide

C9H14N2O6 — CID 174682203

IUPAC2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CO)N(OCC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H14N2O6/c12-2-8(13)11(17-5-7-4-16-7)9(14)10-1-6-3-15-6/h6-7,12H,1-5H2,(H,10,14)
InChIKeyPJZATJFXPYQMQX-UHFFFAOYSA-N
MW246.22 g/mol
LogP-1.75
Rot. Bonds6

About 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide

2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide (PubChem CID 174682203) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
PubChem CID174682203
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CO)N(OCC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H14N2O6/c12-2-8(13)11(17-5-7-4-16-7)9(14)10-1-6-3-15-6/h6-7,12H,1-5H2,(H,10,14)
InChIKeyPJZATJFXPYQMQX-UHFFFAOYSA-N
XLogP-1.75
TPSA103.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
CID 149161761
2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174257210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide (CID 174682203) is 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide is O=C(CO)N(OCC1CO1)C(=O)NCC1CO1.
What is the InChIKey of 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The InChIKey is PJZATJFXPYQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6/c12-2-8(13)11(17-5-7-4-16-7)9(14)10-1-6-3-15-6/h6-7,12H,1-5H2,(H,10,14).
What are the key properties of 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide has a molecular weight of 246.22 g/mol, XLogP of -1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 174682203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).