2-(2-acetamidoethoxy)acetic acid

C6H11NO4 — CID 57148941

IUPAC2-(2-acetamidoethoxy)acetic acid
SMILESCC(=O)NCCOCC(=O)O
InChIInChI=1S/C6H11NO4/c1-5(8)7-2-3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyBLFNGWLVKATGEE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.78
Rot. Bonds5

About 2-(2-acetamidoethoxy)acetic acid

2-(2-acetamidoethoxy)acetic acid (PubChem CID 57148941) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(2-acetamidoethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-acetamidoethoxy)acetic acid
PubChem CID57148941
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(2-acetamidoethoxy)acetic acid
SMILESCC(=O)NCCOCC(=O)O
InChIInChI=1S/C6H11NO4/c1-5(8)7-2-3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyBLFNGWLVKATGEE-UHFFFAOYSA-N
XLogP-0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethoxy)acetic acid?
The IUPAC name of 2-(2-acetamidoethoxy)acetic acid (CID 57148941) is 2-(2-acetamidoethoxy)acetic acid.
What is the SMILES notation for 2-(2-acetamidoethoxy)acetic acid?
The canonical SMILES for 2-(2-acetamidoethoxy)acetic acid is CC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-(2-acetamidoethoxy)acetic acid?
The InChIKey is BLFNGWLVKATGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-5(8)7-2-3-11-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(2-acetamidoethoxy)acetic acid?
2-(2-acetamidoethoxy)acetic acid has a molecular weight of 161.16 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethoxy)acetic acid is sourced from PubChem (CID 57148941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).