heptyl 2-(2-aminoethoxy)acetate

C11H23NO3 — CID 79463419

IUPACheptyl 2-(2-aminoethoxy)acetate
SMILESCCCCCCCOC(=O)COCCN
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-8-15-11(13)10-14-9-7-12/h2-10,12H2,1H3
InChIKeyUEWKSDICARMFMH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.48
Rot. Bonds10

About heptyl 2-(2-aminoethoxy)acetate

heptyl 2-(2-aminoethoxy)acetate (PubChem CID 79463419) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is heptyl 2-(2-aminoethoxy)acetate.

Molecular Properties

Compound Nameheptyl 2-(2-aminoethoxy)acetate
PubChem CID79463419
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameheptyl 2-(2-aminoethoxy)acetate
SMILESCCCCCCCOC(=O)COCCN
InChIInChI=1S/C11H23NO3/c1-2-3-4-5-6-8-15-11(13)10-14-9-7-12/h2-10,12H2,1H3
InChIKeyUEWKSDICARMFMH-UHFFFAOYSA-N
XLogP1.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.48
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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Related Compounds

hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
heptyl 2-(2-methoxyethoxy)acetate
CID 18318708
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
CID 163950026
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
3-cyclopropylpropyl 2-undecoxyacetate
CID 21427229
1-(2-aminoethoxy)dodecan-2-one
CID 116590896
nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
CID 91693511
heptadecyl 2-[2-(2,2-dimethylpropoxy)-2-oxoethoxy]acetate
CID 91696026
dodecyl 4-aminobutanoate
CID 71385737
octyl 3-aminopropanoate;hydrochloride
CID 173393352
butyl 2-(2-propoxyethoxy)acetate
CID 63684669

Frequently Asked Questions

What is the IUPAC name of heptyl 2-(2-aminoethoxy)acetate?
The IUPAC name of heptyl 2-(2-aminoethoxy)acetate (CID 79463419) is heptyl 2-(2-aminoethoxy)acetate.
What is the SMILES notation for heptyl 2-(2-aminoethoxy)acetate?
The canonical SMILES for heptyl 2-(2-aminoethoxy)acetate is CCCCCCCOC(=O)COCCN.
What is the InChIKey of heptyl 2-(2-aminoethoxy)acetate?
The InChIKey is UEWKSDICARMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-4-5-6-8-15-11(13)10-14-9-7-12/h2-10,12H2,1H3.
What are the key properties of heptyl 2-(2-aminoethoxy)acetate?
heptyl 2-(2-aminoethoxy)acetate has a molecular weight of 217.31 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2-(2-aminoethoxy)acetate is sourced from PubChem (CID 79463419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).