2-acetamidobutanediamide

C6H11N3O3 — CID 23273577

IUPAC2-acetamidobutanediamide
SMILESCC(=O)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h4H,2H2,1H3,(H2,7,11)(H2,8,12)(H,9,10)
InChIKeyOANWRLMVAWRMEK-UHFFFAOYSA-N
MW173.17 g/mol
LogP-2.15
Rot. Bonds4

About 2-acetamidobutanediamide

2-acetamidobutanediamide (PubChem CID 23273577) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-acetamidobutanediamide.

Molecular Properties

Compound Name2-acetamidobutanediamide
PubChem CID23273577
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-acetamidobutanediamide
SMILESCC(=O)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C6H11N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h4H,2H2,1H3,(H2,7,11)(H2,8,12)(H,9,10)
InChIKeyOANWRLMVAWRMEK-UHFFFAOYSA-N
XLogP-2.15
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamidobutanediamide 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-acetamidobutanediamide?
The IUPAC name of 2-acetamidobutanediamide (CID 23273577) is 2-acetamidobutanediamide.
What is the SMILES notation for 2-acetamidobutanediamide?
The canonical SMILES for 2-acetamidobutanediamide is CC(=O)NC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-acetamidobutanediamide?
The InChIKey is OANWRLMVAWRMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3(10)9-4(6(8)12)2-5(7)11/h4H,2H2,1H3,(H2,7,11)(H2,8,12)(H,9,10).
What are the key properties of 2-acetamidobutanediamide?
2-acetamidobutanediamide has a molecular weight of 173.17 g/mol, XLogP of -2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidobutanediamide is sourced from PubChem (CID 23273577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).