[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

C11H17NO6 — CID 20643844

IUPAC[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCOC
InChIInChI=1S/C11H17NO6/c1-3-10(14)17-5-4-9(13)12-8-11(15)18-7-6-16-2/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyRCACPXQXQXJQGF-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.59
Rot. Bonds9

About [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20643844) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20643844
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCOC
InChIInChI=1S/C11H17NO6/c1-3-10(14)17-5-4-9(13)12-8-11(15)18-7-6-16-2/h3H,1,4-8H2,2H3,(H,12,13)
InChIKeyRCACPXQXQXJQGF-UHFFFAOYSA-N
XLogP-0.59
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20643844) is [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OCCOC.
What is the InChIKey of [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is RCACPXQXQXJQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6/c1-3-10(14)17-5-4-9(13)12-8-11(15)18-7-6-16-2/h3H,1,4-8H2,2H3,(H,12,13).
What are the key properties of [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 259.26 g/mol, XLogP of -0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20643844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).