2-[acetyl(hydroxy)amino]acetyl chloride

C4H6ClNO3 — CID 175203401

IUPAC2-[acetyl(hydroxy)amino]acetyl chloride
SMILESCC(=O)N(O)CC(=O)Cl
InChIInChI=1S/C4H6ClNO3/c1-3(7)6(9)2-4(5)8/h9H,2H2,1H3
InChIKeyCCPYGLAHXCJLCC-UHFFFAOYSA-N
MW151.55 g/mol
LogP-0.01
Rot. Bonds2

About 2-[acetyl(hydroxy)amino]acetyl chloride

2-[acetyl(hydroxy)amino]acetyl chloride (PubChem CID 175203401) has the molecular formula C4H6ClNO3 and a molecular weight of 151.55 g/mol. Its IUPAC name is 2-[acetyl(hydroxy)amino]acetyl chloride.

Molecular Properties

Compound Name2-[acetyl(hydroxy)amino]acetyl chloride
PubChem CID175203401
Molecular FormulaC4H6ClNO3
Molecular Weight151.55 g/mol
Exact Mass151.00
IUPAC Name2-[acetyl(hydroxy)amino]acetyl chloride
SMILESCC(=O)N(O)CC(=O)Cl
InChIInChI=1S/C4H6ClNO3/c1-3(7)6(9)2-4(5)8/h9H,2H2,1H3
InChIKeyCCPYGLAHXCJLCC-UHFFFAOYSA-N
XLogP-0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.55
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[acetyl(hydroxy)amino]acetyl chloride 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-[acetyl(hydroxy)amino]acetyl chloride?
The IUPAC name of 2-[acetyl(hydroxy)amino]acetyl chloride (CID 175203401) is 2-[acetyl(hydroxy)amino]acetyl chloride.
What is the SMILES notation for 2-[acetyl(hydroxy)amino]acetyl chloride?
The canonical SMILES for 2-[acetyl(hydroxy)amino]acetyl chloride is CC(=O)N(O)CC(=O)Cl.
What is the InChIKey of 2-[acetyl(hydroxy)amino]acetyl chloride?
The InChIKey is CCPYGLAHXCJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO3/c1-3(7)6(9)2-4(5)8/h9H,2H2,1H3.
What are the key properties of 2-[acetyl(hydroxy)amino]acetyl chloride?
2-[acetyl(hydroxy)amino]acetyl chloride has a molecular weight of 151.55 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(hydroxy)amino]acetyl chloride is sourced from PubChem (CID 175203401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).