2-[methoxy(methyl)amino]acetyl chloride

C4H8ClNO2 — CID 22945139

IUPAC2-[methoxy(methyl)amino]acetyl chloride
SMILESCON(C)CC(=O)Cl
InChIInChI=1S/C4H8ClNO2/c1-6(8-2)3-4(5)7/h3H2,1-2H3
InChIKeyUFLLRKQQCSAFIN-UHFFFAOYSA-N
MW137.57 g/mol
LogP0.25
Rot. Bonds3

About 2-[methoxy(methyl)amino]acetyl chloride

2-[methoxy(methyl)amino]acetyl chloride (PubChem CID 22945139) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is 2-[methoxy(methyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[methoxy(methyl)amino]acetyl chloride
PubChem CID22945139
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name2-[methoxy(methyl)amino]acetyl chloride
SMILESCON(C)CC(=O)Cl
InChIInChI=1S/C4H8ClNO2/c1-6(8-2)3-4(5)7/h3H2,1-2H3
InChIKeyUFLLRKQQCSAFIN-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)amino]acetyl chloride?
The IUPAC name of 2-[methoxy(methyl)amino]acetyl chloride (CID 22945139) is 2-[methoxy(methyl)amino]acetyl chloride.
What is the SMILES notation for 2-[methoxy(methyl)amino]acetyl chloride?
The canonical SMILES for 2-[methoxy(methyl)amino]acetyl chloride is CON(C)CC(=O)Cl.
What is the InChIKey of 2-[methoxy(methyl)amino]acetyl chloride?
The InChIKey is UFLLRKQQCSAFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO2/c1-6(8-2)3-4(5)7/h3H2,1-2H3.
What are the key properties of 2-[methoxy(methyl)amino]acetyl chloride?
2-[methoxy(methyl)amino]acetyl chloride has a molecular weight of 137.57 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)amino]acetyl chloride is sourced from PubChem (CID 22945139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).