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

C6H10N2O4 — CID 172787607

IUPACN-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide
SMILESNC(=O)N(CC1CO1)C(=O)CO
InChIInChI=1S/C6H10N2O4/c7-6(11)8(5(10)2-9)1-4-3-12-4/h4,9H,1-3H2,(H2,7,11)
InChIKeyPCQMRWXXEADVDZ-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.72
Rot. Bonds3

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

N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide (PubChem CID 172787607) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide
PubChem CID172787607
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC NameN-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide
SMILESNC(=O)N(CC1CO1)C(=O)CO
InChIInChI=1S/C6H10N2O4/c7-6(11)8(5(10)2-9)1-4-3-12-4/h4,9H,1-3H2,(H2,7,11)
InChIKeyPCQMRWXXEADVDZ-UHFFFAOYSA-N
XLogP-1.72
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(oxiran-2-ylmethyl)carbamoyl]-2-hydroxyacetamide
CID 149161761
N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide
CID 157119375
N-carbamoyl-N-(2,3-dihydroxypropyl)-2-hydroxyacetamide
CID 162032072
2-hydroxy-N-(oxiran-2-ylmethyl)-N-(oxiran-2-ylmethylcarbamoyl)acetamide
CID 174257210

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide?
The IUPAC name of N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide (CID 172787607) is N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide.
What is the SMILES notation for N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide?
The canonical SMILES for N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide is NC(=O)N(CC1CO1)C(=O)CO.
What is the InChIKey of N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide?
The InChIKey is PCQMRWXXEADVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(11)8(5(10)2-9)1-4-3-12-4/h4,9H,1-3H2,(H2,7,11).
What are the key properties of N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide?
N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide has a molecular weight of 174.16 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-hydroxy-N-(oxiran-2-ylmethyl)acetamide is sourced from PubChem (CID 172787607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).