2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid

C12H21NO6 — CID 20688767

IUPAC2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=C(C)C(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C12H21NO6/c1-10(2)12(16)13-3-4-17-5-6-18-7-8-19-9-11(14)15/h1,3-9H2,2H3,(H,13,16)(H,14,15)
InChIKeyUQEXDHUMDOBAGH-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.19
Rot. Bonds12

About 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 20688767) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID20688767
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=C(C)C(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C12H21NO6/c1-10(2)12(16)13-3-4-17-5-6-18-7-8-19-9-11(14)15/h1,3-9H2,2H3,(H,13,16)(H,14,15)
InChIKeyUQEXDHUMDOBAGH-UHFFFAOYSA-N
XLogP-0.19
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid (CID 20688767) is 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid is C=C(C)C(=O)NCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is UQEXDHUMDOBAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-10(2)12(16)13-3-4-17-5-6-18-7-8-19-9-11(14)15/h1,3-9H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 275.30 g/mol, XLogP of -0.19, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 20688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).