2-acetamidooxyacetic acid

C4H7NO4 — CID 21479

IUPAC2-acetamidooxyacetic acid
SMILESCC(=O)NOCC(=O)O
InChIInChI=1S/C4H7NO4/c1-3(6)5-9-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeyONKKMSVOTHQXSC-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.86
Rot. Bonds3

About 2-acetamidooxyacetic acid

2-acetamidooxyacetic acid (PubChem CID 21479) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 2-acetamidooxyacetic acid.

Molecular Properties

Compound Name2-acetamidooxyacetic acid
PubChem CID21479
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name2-acetamidooxyacetic acid
SMILESCC(=O)NOCC(=O)O
InChIInChI=1S/C4H7NO4/c1-3(6)5-9-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKeyONKKMSVOTHQXSC-UHFFFAOYSA-N
XLogP-0.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamidooxyacetic acid 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-acetamidooxyacetic acid?
The IUPAC name of 2-acetamidooxyacetic acid (CID 21479) is 2-acetamidooxyacetic acid.
What is the SMILES notation for 2-acetamidooxyacetic acid?
The canonical SMILES for 2-acetamidooxyacetic acid is CC(=O)NOCC(=O)O.
What is the InChIKey of 2-acetamidooxyacetic acid?
The InChIKey is ONKKMSVOTHQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-3(6)5-9-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8).
What are the key properties of 2-acetamidooxyacetic acid?
2-acetamidooxyacetic acid has a molecular weight of 133.10 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidooxyacetic acid is sourced from PubChem (CID 21479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).