nonyl 2-[methoxycarbonyl(methyl)amino]acetate

C14H27NO4 — CID 91703033

IUPACnonyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C14H27NO4/c1-4-5-6-7-8-9-10-11-19-13(16)12-15(2)14(17)18-3/h4-12H2,1-3H3
InChIKeyJECSQAQHBCRPIH-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.98
Rot. Bonds10

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

nonyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703033) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is nonyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namenonyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703033
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namenonyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C14H27NO4/c1-4-5-6-7-8-9-10-11-19-13(16)12-15(2)14(17)18-3/h4-12H2,1-3H3
InChIKeyJECSQAQHBCRPIH-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.98
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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Related Compounds

Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride (1:1)
CID 3036596
2-(Hexadecyloxy)-N,N,N-trimethyl-2-oxoethan-1-aminium bromide
CID 44400444
Acetic acid, (diethylamino)oxo-, heptyl ester
CID 3042717
Acetic acid, (diethylamino)oxo-, octyl ester
CID 3042718
Acetic acid, (diethylamino)oxo-, nonyl ester
CID 3042719
dodecyl-N,N-dimethylaminoacetate
CID 129378
Decyl 2-dimethylaminoacetate
CID 180016
Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-
CID 3036597
Ethanaminium, 2-(hexadecyloxy)-N,N,N-trimethyl-2-oxo-, chloride
CID 11326397
Sbb056687
CID 10427927
Carboxymethyl-dodecoxycarbonyl-dimethylazanium
CID 91083151
Carboxymethyl-decoxycarbonyl-dimethylazanium
CID 91366326

Frequently Asked Questions

What is the IUPAC name of nonyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of nonyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703033) is nonyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for nonyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for nonyl 2-[methoxycarbonyl(methyl)amino]acetate is CCCCCCCCCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of nonyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is JECSQAQHBCRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-5-6-7-8-9-10-11-19-13(16)12-15(2)14(17)18-3/h4-12H2,1-3H3.
What are the key properties of nonyl 2-[methoxycarbonyl(methyl)amino]acetate?
nonyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 273.37 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).