2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate

C11H19NO4 — CID 54161657

IUPAC2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCO
InChIInChI=1S/C11H19NO4/c1-2-11(15)16-9-7-12-10(14)6-4-3-5-8-13/h2,13H,1,3-9H2,(H,12,14)
InChIKeyOOVMNMDQGHQTIY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.38
Rot. Bonds9

About 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate

2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate (PubChem CID 54161657) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate
PubChem CID54161657
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCCCCO
InChIInChI=1S/C11H19NO4/c1-2-11(15)16-9-7-12-10(14)6-4-3-5-8-13/h2,13H,1,3-9H2,(H,12,14)
InChIKeyOOVMNMDQGHQTIY-UHFFFAOYSA-N
XLogP0.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.38
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 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate (CID 54161657) is 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)CCCCCO.
What is the InChIKey of 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate?
The InChIKey is OOVMNMDQGHQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-11(15)16-9-7-12-10(14)6-4-3-5-8-13/h2,13H,1,3-9H2,(H,12,14).
What are the key properties of 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate?
2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 0.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexanoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 54161657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).