nonyl 2-(ethoxycarbonylamino)propanoate

C15H29NO4 — CID 6422312

IUPACnonyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13(3)16-15(18)19-5-2/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyIXQMITVNIWJRIZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.41
Rot. Bonds11

About nonyl 2-(ethoxycarbonylamino)propanoate

nonyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422312) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is nonyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namenonyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422312
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namenonyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13(3)16-15(18)19-5-2/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyIXQMITVNIWJRIZ-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.41
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 nonyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of nonyl 2-(ethoxycarbonylamino)propanoate (CID 6422312) is nonyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for nonyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for nonyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of nonyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is IXQMITVNIWJRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13(3)16-15(18)19-5-2/h13H,4-12H2,1-3H3,(H,16,18).
What are the key properties of nonyl 2-(ethoxycarbonylamino)propanoate?
nonyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 287.40 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).