2-amino-3-oxopropanoyl chloride

C3H4ClNO2 — CID 56978521

IUPAC2-amino-3-oxopropanoyl chloride
SMILESNC(C=O)C(=O)Cl
InChIInChI=1S/C3H4ClNO2/c4-3(7)2(5)1-6/h1-2H,5H2
InChIKeyDYAKFVCGDXXMCU-UHFFFAOYSA-N
MW121.52 g/mol
LogP-0.72
Rot. Bonds2

About 2-amino-3-oxopropanoyl chloride

2-amino-3-oxopropanoyl chloride (PubChem CID 56978521) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is 2-amino-3-oxopropanoyl chloride.

Molecular Properties

Compound Name2-amino-3-oxopropanoyl chloride
PubChem CID56978521
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC Name2-amino-3-oxopropanoyl chloride
SMILESNC(C=O)C(=O)Cl
InChIInChI=1S/C3H4ClNO2/c4-3(7)2(5)1-6/h1-2H,5H2
InChIKeyDYAKFVCGDXXMCU-UHFFFAOYSA-N
XLogP-0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-oxopropanoyl 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-amino-3-oxopropanoyl chloride?
The IUPAC name of 2-amino-3-oxopropanoyl chloride (CID 56978521) is 2-amino-3-oxopropanoyl chloride.
What is the SMILES notation for 2-amino-3-oxopropanoyl chloride?
The canonical SMILES for 2-amino-3-oxopropanoyl chloride is NC(C=O)C(=O)Cl.
What is the InChIKey of 2-amino-3-oxopropanoyl chloride?
The InChIKey is DYAKFVCGDXXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO2/c4-3(7)2(5)1-6/h1-2H,5H2.
What are the key properties of 2-amino-3-oxopropanoyl chloride?
2-amino-3-oxopropanoyl chloride has a molecular weight of 121.52 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxopropanoyl chloride is sourced from PubChem (CID 56978521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).