ethyl 2-amino-2-methyloctanoate

C11H23NO2 — CID 50987895

IUPACethyl 2-amino-2-methyloctanoate
SMILESCCCCCCC(C)(N)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-11(3,12)10(13)14-5-2/h4-9,12H2,1-3H3
InChIKeyBBYBOXVLCIYBFG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds7

About ethyl 2-amino-2-methyloctanoate

ethyl 2-amino-2-methyloctanoate (PubChem CID 50987895) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-amino-2-methyloctanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyloctanoate
PubChem CID50987895
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-amino-2-methyloctanoate
SMILESCCCCCCC(C)(N)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-11(3,12)10(13)14-5-2/h4-9,12H2,1-3H3
InChIKeyBBYBOXVLCIYBFG-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
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-amino-2-methyloctanoate?
The IUPAC name of ethyl 2-amino-2-methyloctanoate (CID 50987895) is ethyl 2-amino-2-methyloctanoate.
What is the SMILES notation for ethyl 2-amino-2-methyloctanoate?
The canonical SMILES for ethyl 2-amino-2-methyloctanoate is CCCCCCC(C)(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-methyloctanoate?
The InChIKey is BBYBOXVLCIYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-7-8-9-11(3,12)10(13)14-5-2/h4-9,12H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyloctanoate?
ethyl 2-amino-2-methyloctanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyloctanoate is sourced from PubChem (CID 50987895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).