ethyl 2-(heptylamino)acetate

C11H23NO2 — CID 14947016

IUPACethyl 2-(heptylamino)acetate
SMILESCCCCCCCNCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-10-11(13)14-4-2/h12H,3-10H2,1-2H3
InChIKeyFUOZETCLNRWXGG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds9

About ethyl 2-(heptylamino)acetate

ethyl 2-(heptylamino)acetate (PubChem CID 14947016) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-(heptylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(heptylamino)acetate
PubChem CID14947016
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-(heptylamino)acetate
SMILESCCCCCCCNCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-10-11(13)14-4-2/h12H,3-10H2,1-2H3
InChIKeyFUOZETCLNRWXGG-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 2-(heptylamino)acetate?
The IUPAC name of ethyl 2-(heptylamino)acetate (CID 14947016) is ethyl 2-(heptylamino)acetate.
What is the SMILES notation for ethyl 2-(heptylamino)acetate?
The canonical SMILES for ethyl 2-(heptylamino)acetate is CCCCCCCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(heptylamino)acetate?
The InChIKey is FUOZETCLNRWXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-10-11(13)14-4-2/h12H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(heptylamino)acetate?
ethyl 2-(heptylamino)acetate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(heptylamino)acetate is sourced from PubChem (CID 14947016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).