3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid

C12H21NO6 — CID 156867935

IUPAC3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESC=CC(=O)NCCOCCOCCOCCC(=O)O
InChIInChI=1S/C12H21NO6/c1-2-11(14)13-4-6-18-8-10-19-9-7-17-5-3-12(15)16/h2H,1,3-10H2,(H,13,14)(H,15,16)
InChIKeyAWLNDEOHISRMMI-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.19
Rot. Bonds13

About 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 156867935) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID156867935
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESC=CC(=O)NCCOCCOCCOCCC(=O)O
InChIInChI=1S/C12H21NO6/c1-2-11(14)13-4-6-18-8-10-19-9-7-17-5-3-12(15)16/h2H,1,3-10H2,(H,13,14)(H,15,16)
InChIKeyAWLNDEOHISRMMI-UHFFFAOYSA-N
XLogP-0.19
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
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 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid (CID 156867935) is 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid is C=CC(=O)NCCOCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is AWLNDEOHISRMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-2-11(14)13-4-6-18-8-10-19-9-7-17-5-3-12(15)16/h2H,1,3-10H2,(H,13,14)(H,15,16).
What are the key properties of 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 275.30 g/mol, XLogP of -0.19, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 156867935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).