hexyl 2-oxo-2-(propylamino)acetate

C11H21NO3 — CID 6420423

IUPAChexyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C11H21NO3/c1-3-5-6-7-9-15-11(14)10(13)12-8-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyZMJAFFOHWNXFOE-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.64
Rot. Bonds7

About hexyl 2-oxo-2-(propylamino)acetate

hexyl 2-oxo-2-(propylamino)acetate (PubChem CID 6420423) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is hexyl 2-oxo-2-(propylamino)acetate.

Molecular Properties

Compound Namehexyl 2-oxo-2-(propylamino)acetate
PubChem CID6420423
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namehexyl 2-oxo-2-(propylamino)acetate
SMILESCCCCCCOC(=O)C(=O)NCCC
InChIInChI=1S/C11H21NO3/c1-3-5-6-7-9-15-11(14)10(13)12-8-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyZMJAFFOHWNXFOE-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
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

octadecyl N-propylcarbamate
CID 175015942
ditridecyl oxalate
CID 18377796
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
N,N'-diheptyloxamide
CID 3417538
dioctyl (Z)-2,3-dibutylbut-2-enedioate
CID 87922304
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082

Frequently Asked Questions

What is the IUPAC name of hexyl 2-oxo-2-(propylamino)acetate?
The IUPAC name of hexyl 2-oxo-2-(propylamino)acetate (CID 6420423) is hexyl 2-oxo-2-(propylamino)acetate.
What is the SMILES notation for hexyl 2-oxo-2-(propylamino)acetate?
The canonical SMILES for hexyl 2-oxo-2-(propylamino)acetate is CCCCCCOC(=O)C(=O)NCCC.
What is the InChIKey of hexyl 2-oxo-2-(propylamino)acetate?
The InChIKey is ZMJAFFOHWNXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-5-6-7-9-15-11(14)10(13)12-8-4-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of hexyl 2-oxo-2-(propylamino)acetate?
hexyl 2-oxo-2-(propylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-oxo-2-(propylamino)acetate is sourced from PubChem (CID 6420423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).