methyl (E,2R)-2-acetamidooct-4-enoate

C11H19NO3 — CID 134967402

IUPACmethyl (E,2R)-2-acetamidooct-4-enoate
SMILESCCC/C=C/C[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h6-7,10H,4-5,8H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyDHAHRDQHJHZAJM-VQCYPWCPSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds6

About methyl (E,2R)-2-acetamidooct-4-enoate

methyl (E,2R)-2-acetamidooct-4-enoate (PubChem CID 134967402) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (E,2R)-2-acetamidooct-4-enoate.

Molecular Properties

Compound Namemethyl (E,2R)-2-acetamidooct-4-enoate
PubChem CID134967402
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (E,2R)-2-acetamidooct-4-enoate
SMILESCCC/C=C/C[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h6-7,10H,4-5,8H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyDHAHRDQHJHZAJM-VQCYPWCPSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E,2R)-2-acetamidooct-4-enoate?
The IUPAC name of methyl (E,2R)-2-acetamidooct-4-enoate (CID 134967402) is methyl (E,2R)-2-acetamidooct-4-enoate.
What is the SMILES notation for methyl (E,2R)-2-acetamidooct-4-enoate?
The canonical SMILES for methyl (E,2R)-2-acetamidooct-4-enoate is CCC/C=C/C[C@@H](NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (E,2R)-2-acetamidooct-4-enoate?
The InChIKey is DHAHRDQHJHZAJM-VQCYPWCPSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-7-8-10(11(14)15-3)12-9(2)13/h6-7,10H,4-5,8H2,1-3H3,(H,12,13)/b7-6+/t10-/m1/s1.
What are the key properties of methyl (E,2R)-2-acetamidooct-4-enoate?
methyl (E,2R)-2-acetamidooct-4-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R)-2-acetamidooct-4-enoate is sourced from PubChem (CID 134967402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).