nonyl 2-(diethylamino)-2-oxoacetate

C15H29NO3 — CID 3042719

IUPACnonyl 2-(diethylamino)-2-oxoacetate
SMILESCCCCCCCCCOC(=O)C(=O)N(CC)CC
InChIInChI=1S/C15H29NO3/c1-4-7-8-9-10-11-12-13-19-15(18)14(17)16(5-2)6-3/h4-13H2,1-3H3
InChIKeyZXCUJUPZAWBDTD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.15
Rot. Bonds10

About nonyl 2-(diethylamino)-2-oxoacetate

nonyl 2-(diethylamino)-2-oxoacetate (PubChem CID 3042719) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is nonyl 2-(diethylamino)-2-oxoacetate.

Molecular Properties

Compound Namenonyl 2-(diethylamino)-2-oxoacetate
PubChem CID3042719
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namenonyl 2-(diethylamino)-2-oxoacetate
SMILESCCCCCCCCCOC(=O)C(=O)N(CC)CC
InChIInChI=1S/C15H29NO3/c1-4-7-8-9-10-11-12-13-19-15(18)14(17)16(5-2)6-3/h4-13H2,1-3H3
InChIKeyZXCUJUPZAWBDTD-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hexyl 2-(diethylamino)-2-oxoacetate
CID 3042716
Acetic acid, (diethylamino)oxo-, heptyl ester
CID 3042717
Acetic acid, (diethylamino)oxo-, octyl ester
CID 3042718
Sarcosine, N-trifluoroacetyl-, dodecyl ester
CID 91716825
Sarcosine, N-isobutyryl-, heptyl ester
CID 91692178
Glycine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91703018
Glycine, N-methyl-N-methoxycarbonyl-, pentadecyl ester
CID 91703019
Glycine, N-methyl-N-methoxycarbonyl-, tetradecyl ester
CID 91703020
Glycine, N-methyl-N-methoxycarbonyl-, hexadecyl ester
CID 91703021
Glycine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
CID 91703022
Glycine, N-methyl-N-methoxycarbonyl-, octadecyl ester
CID 91703023
Glycine, N-methyl-N-methoxycarbonyl-, heptyl ester
CID 91703031

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(diethylamino)-2-oxoacetate?
The IUPAC name of nonyl 2-(diethylamino)-2-oxoacetate (CID 3042719) is nonyl 2-(diethylamino)-2-oxoacetate.
What is the SMILES notation for nonyl 2-(diethylamino)-2-oxoacetate?
The canonical SMILES for nonyl 2-(diethylamino)-2-oxoacetate is CCCCCCCCCOC(=O)C(=O)N(CC)CC.
What is the InChIKey of nonyl 2-(diethylamino)-2-oxoacetate?
The InChIKey is ZXCUJUPZAWBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-7-8-9-10-11-12-13-19-15(18)14(17)16(5-2)6-3/h4-13H2,1-3H3.
What are the key properties of nonyl 2-(diethylamino)-2-oxoacetate?
nonyl 2-(diethylamino)-2-oxoacetate has a molecular weight of 271.40 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(diethylamino)-2-oxoacetate is sourced from PubChem (CID 3042719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).