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

C9H14N2O5 — CID 174257210

IUPAC2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CO)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H14N2O5/c12-3-8(13)11(2-7-5-16-7)9(14)10-1-6-4-15-6/h6-7,12H,1-5H2,(H,10,14)
InChIKeyZXSZWAQUJNUPAG-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.69
Rot. Bonds5

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

2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide (PubChem CID 174257210) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
PubChem CID174257210
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CO)N(CC1CO1)C(=O)NCC1CO1
InChIInChI=1S/C9H14N2O5/c12-3-8(13)11(2-7-5-16-7)9(14)10-1-6-4-15-6/h6-7,12H,1-5H2,(H,10,14)
InChIKeyZXSZWAQUJNUPAG-UHFFFAOYSA-N
XLogP-1.69
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(3-Hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
N-[acetyl(oxiran-2-ylmethyl)carbamoyl]acetamide
CID 132075955
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 134566947
N-(3-ethoxy-2-hydroxypropyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]acetamide
CID 139352309
N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
CID 149161761
N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide
CID 172787607
2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174682203
3-Carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea
CID 174826052
1-(Oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 88692154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide (CID 174257210) is 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide is O=C(CO)N(CC1CO1)C(=O)NCC1CO1.
What is the InChIKey of 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
The InChIKey is ZXSZWAQUJNUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-3-8(13)11(2-7-5-16-7)9(14)10-1-6-4-15-6/h6-7,12H,1-5H2,(H,10,14).
What are the key properties of 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide?
2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide has a molecular weight of 230.22 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 174257210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).