nonyl 2-[ethoxycarbonyl(methyl)amino]acetate

C15H29NO4 — CID 91709597

IUPACnonyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13-16(3)15(18)19-5-2/h4-13H2,1-3H3
InChIKeyHRVXKVNTWDJCGS-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds11

About nonyl 2-[ethoxycarbonyl(methyl)amino]acetate

nonyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709597) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is nonyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namenonyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709597
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namenonyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13-16(3)15(18)19-5-2/h4-13H2,1-3H3
InChIKeyHRVXKVNTWDJCGS-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
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-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of nonyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709597) is nonyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for nonyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for nonyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of nonyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is HRVXKVNTWDJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-6-7-8-9-10-11-12-20-14(17)13-16(3)15(18)19-5-2/h4-13H2,1-3H3.
What are the key properties of nonyl 2-[ethoxycarbonyl(methyl)amino]acetate?
nonyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 287.40 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).