2-acetamido-2-ethoxyacetic acid

C6H11NO4 — CID 15027090

IUPAC2-acetamido-2-ethoxyacetic acid
SMILESCCOC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyATZDILGQMHRNEF-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.43
Rot. Bonds4

About 2-acetamido-2-ethoxyacetic acid

2-acetamido-2-ethoxyacetic acid (PubChem CID 15027090) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-acetamido-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-acetamido-2-ethoxyacetic acid
PubChem CID15027090
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-acetamido-2-ethoxyacetic acid
SMILESCCOC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyATZDILGQMHRNEF-UHFFFAOYSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-ethoxyacetic acid?
The IUPAC name of 2-acetamido-2-ethoxyacetic acid (CID 15027090) is 2-acetamido-2-ethoxyacetic acid.
What is the SMILES notation for 2-acetamido-2-ethoxyacetic acid?
The canonical SMILES for 2-acetamido-2-ethoxyacetic acid is CCOC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-2-ethoxyacetic acid?
The InChIKey is ATZDILGQMHRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-acetamido-2-ethoxyacetic acid?
2-acetamido-2-ethoxyacetic acid has a molecular weight of 161.16 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-ethoxyacetic acid is sourced from PubChem (CID 15027090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).