2-[acetamido(acetyl)amino]acetamide

C6H11N3O3 — CID 139182098

IUPAC2-[acetamido(acetyl)amino]acetamide
SMILESCC(=O)NN(CC(N)=O)C(C)=O
InChIInChI=1S/C6H11N3O3/c1-4(10)8-9(5(2)11)3-6(7)12/h3H2,1-2H3,(H2,7,12)(H,8,10)
InChIKeyRNZWMPCUXDAWCR-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.63
Rot. Bonds2

About 2-[acetamido(acetyl)amino]acetamide

2-[acetamido(acetyl)amino]acetamide (PubChem CID 139182098) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[acetamido(acetyl)amino]acetamide.

Molecular Properties

Compound Name2-[acetamido(acetyl)amino]acetamide
PubChem CID139182098
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[acetamido(acetyl)amino]acetamide
SMILESCC(=O)NN(CC(N)=O)C(C)=O
InChIInChI=1S/C6H11N3O3/c1-4(10)8-9(5(2)11)3-6(7)12/h3H2,1-2H3,(H2,7,12)(H,8,10)
InChIKeyRNZWMPCUXDAWCR-UHFFFAOYSA-N
XLogP-1.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetamido(acetyl)amino]acetamide?
The IUPAC name of 2-[acetamido(acetyl)amino]acetamide (CID 139182098) is 2-[acetamido(acetyl)amino]acetamide.
What is the SMILES notation for 2-[acetamido(acetyl)amino]acetamide?
The canonical SMILES for 2-[acetamido(acetyl)amino]acetamide is CC(=O)NN(CC(N)=O)C(C)=O.
What is the InChIKey of 2-[acetamido(acetyl)amino]acetamide?
The InChIKey is RNZWMPCUXDAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-4(10)8-9(5(2)11)3-6(7)12/h3H2,1-2H3,(H2,7,12)(H,8,10).
What are the key properties of 2-[acetamido(acetyl)amino]acetamide?
2-[acetamido(acetyl)amino]acetamide has a molecular weight of 173.17 g/mol, XLogP of -1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido(acetyl)amino]acetamide is sourced from PubChem (CID 139182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).