2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate

C12H19NO7 — CID 20643777

IUPAC2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate
SMILESC=CC(=O)OCCNC(=O)OCCC(=O)OCCOC
InChIInChI=1S/C12H19NO7/c1-3-10(14)18-7-5-13-12(16)20-6-4-11(15)19-9-8-17-2/h3H,1,4-9H2,2H3,(H,13,16)
InChIKeyOQKJUSNMSPDWKM-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.02
Rot. Bonds10

About 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate

2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate (PubChem CID 20643777) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate
PubChem CID20643777
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate
SMILESC=CC(=O)OCCNC(=O)OCCC(=O)OCCOC
InChIInChI=1S/C12H19NO7/c1-3-10(14)18-7-5-13-12(16)20-6-4-11(15)19-9-8-17-2/h3H,1,4-9H2,2H3,(H,13,16)
InChIKeyOQKJUSNMSPDWKM-UHFFFAOYSA-N
XLogP0.02
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate?
The IUPAC name of 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate (CID 20643777) is 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate is C=CC(=O)OCCNC(=O)OCCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate?
The InChIKey is OQKJUSNMSPDWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7/c1-3-10(14)18-7-5-13-12(16)20-6-4-11(15)19-9-8-17-2/h3H,1,4-9H2,2H3,(H,13,16).
What are the key properties of 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate?
2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate has a molecular weight of 289.28 g/mol, XLogP of 0.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(2-prop-2-enoyloxyethylcarbamoyloxy)propanoate is sourced from PubChem (CID 20643777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).