N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide

C9H14N2O5 — CID 149161761

IUPACN-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
SMILESO=C(CO)NC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C9H14N2O5/c12-3-8(13)10-9(14)11(1-6-4-15-6)2-7-5-16-7/h6-7,12H,1-5H2,(H,10,13,14)
InChIKeyVAHZFXYRJIFJRT-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.69
Rot. Bonds5

About N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide

N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide (PubChem CID 149161761) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
PubChem CID149161761
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC NameN-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
SMILESO=C(CO)NC(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C9H14N2O5/c12-3-8(13)10-9(14)11(1-6-4-15-6)2-7-5-16-7/h6-7,12H,1-5H2,(H,10,13,14)
InChIKeyVAHZFXYRJIFJRT-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-(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-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide
CID 172787607
2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174257210
2-hydroxy-N-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174682203
3-Carbamoyl-1,1-bis(oxiran-2-ylmethyl)urea
CID 174826052

Frequently Asked Questions

What is the IUPAC name of N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide?
The IUPAC name of N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide (CID 149161761) is N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide?
The canonical SMILES for N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide is O=C(CO)NC(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide?
The InChIKey is VAHZFXYRJIFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-3-8(13)10-9(14)11(1-6-4-15-6)2-7-5-16-7/h6-7,12H,1-5H2,(H,10,13,14).
What are the key properties of N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide?
N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide 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 N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide is sourced from PubChem (CID 149161761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).