acetamido 2-hydroxyacetate

C4H7NO4 — CID 54553332

IUPACacetamido 2-hydroxyacetate
SMILESCC(=O)NOC(=O)CO
InChIInChI=1S/C4H7NO4/c1-3(7)5-9-4(8)2-6/h6H,2H2,1H3,(H,5,7)
InChIKeyZLKOUCHKKWDGNO-UHFFFAOYSA-N
MW133.10 g/mol
LogP-1.43
Rot. Bonds1

About acetamido 2-hydroxyacetate

acetamido 2-hydroxyacetate (PubChem CID 54553332) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is acetamido 2-hydroxyacetate.

Molecular Properties

Compound Nameacetamido 2-hydroxyacetate
PubChem CID54553332
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Nameacetamido 2-hydroxyacetate
SMILESCC(=O)NOC(=O)CO
InChIInChI=1S/C4H7NO4/c1-3(7)5-9-4(8)2-6/h6H,2H2,1H3,(H,5,7)
InChIKeyZLKOUCHKKWDGNO-UHFFFAOYSA-N
XLogP-1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamido 2-hydroxyacetate?
The IUPAC name of acetamido 2-hydroxyacetate (CID 54553332) is acetamido 2-hydroxyacetate.
What is the SMILES notation for acetamido 2-hydroxyacetate?
The canonical SMILES for acetamido 2-hydroxyacetate is CC(=O)NOC(=O)CO.
What is the InChIKey of acetamido 2-hydroxyacetate?
The InChIKey is ZLKOUCHKKWDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-3(7)5-9-4(8)2-6/h6H,2H2,1H3,(H,5,7).
What are the key properties of acetamido 2-hydroxyacetate?
acetamido 2-hydroxyacetate has a molecular weight of 133.10 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 2-hydroxyacetate is sourced from PubChem (CID 54553332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).