2-amino-N,N-diformylacetamide

C4H6N2O3 — CID 175241955

IUPAC2-amino-N,N-diformylacetamide
SMILESNCC(=O)N(C=O)C=O
InChIInChI=1S/C4H6N2O3/c5-1-4(9)6(2-7)3-8/h2-3H,1,5H2
InChIKeySQAHBPYXJQZJPI-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.91
Rot. Bonds3

About 2-amino-N,N-diformylacetamide

2-amino-N,N-diformylacetamide (PubChem CID 175241955) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-amino-N,N-diformylacetamide.

Molecular Properties

Compound Name2-amino-N,N-diformylacetamide
PubChem CID175241955
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name2-amino-N,N-diformylacetamide
SMILESNCC(=O)N(C=O)C=O
InChIInChI=1S/C4H6N2O3/c5-1-4(9)6(2-7)3-8/h2-3H,1,5H2
InChIKeySQAHBPYXJQZJPI-UHFFFAOYSA-N
XLogP-1.91
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-N,N-diformylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diformylacetamide?
The IUPAC name of 2-amino-N,N-diformylacetamide (CID 175241955) is 2-amino-N,N-diformylacetamide.
What is the SMILES notation for 2-amino-N,N-diformylacetamide?
The canonical SMILES for 2-amino-N,N-diformylacetamide is NCC(=O)N(C=O)C=O.
What is the InChIKey of 2-amino-N,N-diformylacetamide?
The InChIKey is SQAHBPYXJQZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c5-1-4(9)6(2-7)3-8/h2-3H,1,5H2.
What are the key properties of 2-amino-N,N-diformylacetamide?
2-amino-N,N-diformylacetamide has a molecular weight of 130.10 g/mol, XLogP of -1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diformylacetamide is sourced from PubChem (CID 175241955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).