N-acetyl-2-methyliminopropanediamide

C6H9N3O3 — CID 170037061

IUPACN-acetyl-2-methyliminopropanediamide
SMILESC/N=C(\C(N)=O)C(=O)NC(C)=O
InChIInChI=1S/C6H9N3O3/c1-3(10)9-6(12)4(8-2)5(7)11/h1-2H3,(H2,7,11)(H,9,10,12)/b8-4+
InChIKeyNNXDNKLSUVUIQR-XBXARRHUSA-N
MW171.16 g/mol
LogP-1.79
Rot. Bonds2

About N-acetyl-2-methyliminopropanediamide

N-acetyl-2-methyliminopropanediamide (PubChem CID 170037061) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-acetyl-2-methyliminopropanediamide.

Molecular Properties

Compound NameN-acetyl-2-methyliminopropanediamide
PubChem CID170037061
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-acetyl-2-methyliminopropanediamide
SMILESC/N=C(\C(N)=O)C(=O)NC(C)=O
InChIInChI=1S/C6H9N3O3/c1-3(10)9-6(12)4(8-2)5(7)11/h1-2H3,(H2,7,11)(H,9,10,12)/b8-4+
InChIKeyNNXDNKLSUVUIQR-XBXARRHUSA-N
XLogP-1.79
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-acetyl-2-methyliminopropanediamide 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 N-acetyl-2-methyliminopropanediamide?
The IUPAC name of N-acetyl-2-methyliminopropanediamide (CID 170037061) is N-acetyl-2-methyliminopropanediamide.
What is the SMILES notation for N-acetyl-2-methyliminopropanediamide?
The canonical SMILES for N-acetyl-2-methyliminopropanediamide is C/N=C(\C(N)=O)C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-2-methyliminopropanediamide?
The InChIKey is NNXDNKLSUVUIQR-XBXARRHUSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3(10)9-6(12)4(8-2)5(7)11/h1-2H3,(H2,7,11)(H,9,10,12)/b8-4+.
What are the key properties of N-acetyl-2-methyliminopropanediamide?
N-acetyl-2-methyliminopropanediamide has a molecular weight of 171.16 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-methyliminopropanediamide is sourced from PubChem (CID 170037061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).