octyl 2-(ethoxycarbonylamino)propanoate

C14H27NO4 — CID 6422311

IUPACoctyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12(3)15-14(17)18-5-2/h12H,4-11H2,1-3H3,(H,15,17)
InChIKeyZGUJCGALMOQKPC-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.02
Rot. Bonds10

About octyl 2-(ethoxycarbonylamino)propanoate

octyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422311) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is octyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameoctyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422311
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameoctyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12(3)15-14(17)18-5-2/h12H,4-11H2,1-3H3,(H,15,17)
InChIKeyZGUJCGALMOQKPC-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of octyl 2-(ethoxycarbonylamino)propanoate (CID 6422311) is octyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for octyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for octyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of octyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is ZGUJCGALMOQKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12(3)15-14(17)18-5-2/h12H,4-11H2,1-3H3,(H,15,17).
What are the key properties of octyl 2-(ethoxycarbonylamino)propanoate?
octyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 273.37 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).