2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C13H21NO7 — CID 20643776

IUPAC2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC(=O)OCCOC
InChIInChI=1S/C13H21NO7/c1-10(2)12(16)20-7-5-14-13(17)21-6-4-11(15)19-9-8-18-3/h1,4-9H2,2-3H3,(H,14,17)
InChIKeyZFBDOAXGVIAQHY-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.41
Rot. Bonds10

About 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20643776) has the molecular formula C13H21NO7 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID20643776
Molecular FormulaC13H21NO7
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Name2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCC(=O)OCCOC
InChIInChI=1S/C13H21NO7/c1-10(2)12(16)20-7-5-14-13(17)21-6-4-11(15)19-9-8-18-3/h1,4-9H2,2-3H3,(H,14,17)
InChIKeyZFBDOAXGVIAQHY-UHFFFAOYSA-N
XLogP0.41
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.41
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-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 20643776) is 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCC(=O)OCCOC.
What is the InChIKey of 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is ZFBDOAXGVIAQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO7/c1-10(2)12(16)20-7-5-14-13(17)21-6-4-11(15)19-9-8-18-3/h1,4-9H2,2-3H3,(H,14,17).
What are the key properties of 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 303.31 g/mol, XLogP of 0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethoxy)-3-oxopropoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).