1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate

C15H25NO7 — CID 20659225

IUPAC1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(C)(C)C(=O)OC(C)OC
InChIInChI=1S/C15H25NO7/c1-10(2)12(17)21-8-7-16-14(19)22-9-15(4,5)13(18)23-11(3)20-6/h11H,1,7-9H2,2-6H3,(H,16,19)
InChIKeyYMAWMNGQOOGEJL-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.39
Rot. Bonds9

About 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate

1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate (PubChem CID 20659225) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate.

Molecular Properties

Compound Name1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate
PubChem CID20659225
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Name1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate
SMILESC=C(C)C(=O)OCCNC(=O)OCC(C)(C)C(=O)OC(C)OC
InChIInChI=1S/C15H25NO7/c1-10(2)12(17)21-8-7-16-14(19)22-9-15(4,5)13(18)23-11(3)20-6/h11H,1,7-9H2,2-6H3,(H,16,19)
InChIKeyYMAWMNGQOOGEJL-UHFFFAOYSA-N
XLogP1.39
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.39
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate?
The IUPAC name of 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate (CID 20659225) is 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate.
What is the SMILES notation for 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate?
The canonical SMILES for 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate is C=C(C)C(=O)OCCNC(=O)OCC(C)(C)C(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate?
The InChIKey is YMAWMNGQOOGEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO7/c1-10(2)12(17)21-8-7-16-14(19)22-9-15(4,5)13(18)23-11(3)20-6/h11H,1,7-9H2,2-6H3,(H,16,19).
What are the key properties of 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate?
1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate has a molecular weight of 331.37 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 2,2-dimethyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoate is sourced from PubChem (CID 20659225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).