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

C10H17NO5 — CID 156867790

IUPAC3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid
SMILESC=CC(=O)NCCOCCOCCC(=O)O
InChIInChI=1S/C10H17NO5/c1-2-9(12)11-4-6-16-8-7-15-5-3-10(13)14/h2H,1,3-8H2,(H,11,12)(H,13,14)
InChIKeyWZJMMAAEOZPIEG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.20
Rot. Bonds10

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

3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid (PubChem CID 156867790) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid
PubChem CID156867790
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid
SMILESC=CC(=O)NCCOCCOCCC(=O)O
InChIInChI=1S/C10H17NO5/c1-2-9(12)11-4-6-16-8-7-15-5-3-10(13)14/h2H,1,3-8H2,(H,11,12)(H,13,14)
InChIKeyWZJMMAAEOZPIEG-UHFFFAOYSA-N
XLogP-0.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid (CID 156867790) is 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid is C=CC(=O)NCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid?
The InChIKey is WZJMMAAEOZPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-9(12)11-4-6-16-8-7-15-5-3-10(13)14/h2H,1,3-8H2,(H,11,12)(H,13,14).
What are the key properties of 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 156867790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).