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

C11H19NO6 — CID 20667275

IUPAC2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=CC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C11H19NO6/c1-2-10(13)12-3-4-16-5-6-17-7-8-18-9-11(14)15/h2H,1,3-9H2,(H,12,13)(H,14,15)
InChIKeyGIEWAQASMPFMEG-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.58
Rot. Bonds12

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

2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 20667275) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID20667275
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid
SMILESC=CC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C11H19NO6/c1-2-10(13)12-3-4-16-5-6-17-7-8-18-9-11(14)15/h2H,1,3-9H2,(H,12,13)(H,14,15)
InChIKeyGIEWAQASMPFMEG-UHFFFAOYSA-N
XLogP-0.58
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.58
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-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid (CID 20667275) is 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid is C=CC(=O)NCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is GIEWAQASMPFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-2-10(13)12-3-4-16-5-6-17-7-8-18-9-11(14)15/h2H,1,3-9H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 261.27 g/mol, XLogP of -0.58, 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-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 20667275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).