1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea

C11H19N3O6 — CID 143811401

IUPAC1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
SMILESCOCCN(O)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H19N3O6/c1-18-3-2-14(17)11(16)13(5-9-7-20-9)10(15)12-4-8-6-19-8/h8-9,17H,2-7H2,1H3,(H,12,15)
InChIKeyGLVRZMSSELZGBA-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.75
Rot. Bonds7

About 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea

1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea (PubChem CID 143811401) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
PubChem CID143811401
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
SMILESCOCCN(O)C(=O)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C11H19N3O6/c1-18-3-2-14(17)11(16)13(5-9-7-20-9)10(15)12-4-8-6-19-8/h8-9,17H,2-7H2,1H3,(H,12,15)
InChIKeyGLVRZMSSELZGBA-UHFFFAOYSA-N
XLogP-0.75
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
1-(Hydroxymethyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 89219969
1-[Hydroxy(oxiran-2-ylmethyl)amino]-1,3-bis(oxiran-2-ylmethyl)urea
CID 89812657
3-Ethyl-1,1-bis(oxiran-2-ylmethyl)urea
CID 90100578
1-(3-Hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
1-[[Hydroxy(oxiran-2-ylmethyl)amino]-propoxymethyl]-3-(3-hydroxypropyl)urea
CID 117756277
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]formamide
CID 124007174
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 134566947
1-(Butylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 138717456

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea?
The IUPAC name of 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea (CID 143811401) is 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea.
What is the SMILES notation for 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea?
The canonical SMILES for 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea is COCCN(O)C(=O)N(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea?
The InChIKey is GLVRZMSSELZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-18-3-2-14(17)11(16)13(5-9-7-20-9)10(15)12-4-8-6-19-8/h8-9,17H,2-7H2,1H3,(H,12,15).
What are the key properties of 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea?
1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea has a molecular weight of 289.29 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(2-methoxyethyl)-3-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea is sourced from PubChem (CID 143811401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).