2-[acetamido(methyl)amino]-2-oxoacetamide

C5H9N3O3 — CID 20646805

IUPAC2-[acetamido(methyl)amino]-2-oxoacetamide
SMILESCC(=O)NN(C)C(=O)C(N)=O
InChIInChI=1S/C5H9N3O3/c1-3(9)7-8(2)5(11)4(6)10/h1-2H3,(H2,6,10)(H,7,9)
InChIKeyCRBSVHCDUAWSJC-UHFFFAOYSA-N
MW159.14 g/mol
LogP-2.02
Rot. Bonds

About 2-[acetamido(methyl)amino]-2-oxoacetamide

2-[acetamido(methyl)amino]-2-oxoacetamide (PubChem CID 20646805) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-[acetamido(methyl)amino]-2-oxoacetamide.

Molecular Properties

Compound Name2-[acetamido(methyl)amino]-2-oxoacetamide
PubChem CID20646805
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name2-[acetamido(methyl)amino]-2-oxoacetamide
SMILESCC(=O)NN(C)C(=O)C(N)=O
InChIInChI=1S/C5H9N3O3/c1-3(9)7-8(2)5(11)4(6)10/h1-2H3,(H2,6,10)(H,7,9)
InChIKeyCRBSVHCDUAWSJC-UHFFFAOYSA-N
XLogP-2.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetamido(methyl)amino]-2-oxoacetamide?
The IUPAC name of 2-[acetamido(methyl)amino]-2-oxoacetamide (CID 20646805) is 2-[acetamido(methyl)amino]-2-oxoacetamide.
What is the SMILES notation for 2-[acetamido(methyl)amino]-2-oxoacetamide?
The canonical SMILES for 2-[acetamido(methyl)amino]-2-oxoacetamide is CC(=O)NN(C)C(=O)C(N)=O.
What is the InChIKey of 2-[acetamido(methyl)amino]-2-oxoacetamide?
The InChIKey is CRBSVHCDUAWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-3(9)7-8(2)5(11)4(6)10/h1-2H3,(H2,6,10)(H,7,9).
What are the key properties of 2-[acetamido(methyl)amino]-2-oxoacetamide?
2-[acetamido(methyl)amino]-2-oxoacetamide has a molecular weight of 159.14 g/mol, XLogP of -2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(methyl)amino]-2-oxoacetamide is sourced from PubChem (CID 20646805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).