2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid

C9H17NO5 — CID 57218988

IUPAC2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid
SMILESCC(=O)NCC(C)OCCOCC(=O)O
InChIInChI=1S/C9H17NO5/c1-7(5-10-8(2)11)15-4-3-14-6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZPKRRYIBZOGQDG-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.37
Rot. Bonds8

About 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid

2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid (PubChem CID 57218988) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid
PubChem CID57218988
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid
SMILESCC(=O)NCC(C)OCCOCC(=O)O
InChIInChI=1S/C9H17NO5/c1-7(5-10-8(2)11)15-4-3-14-6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyZPKRRYIBZOGQDG-UHFFFAOYSA-N
XLogP-0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid (CID 57218988) is 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid is CC(=O)NCC(C)OCCOCC(=O)O.
What is the InChIKey of 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid?
The InChIKey is ZPKRRYIBZOGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(5-10-8(2)11)15-4-3-14-6-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid?
2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid has a molecular weight of 219.24 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetamidopropan-2-yloxy)ethoxy]acetic acid is sourced from PubChem (CID 57218988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).