ethyl 2-amino-2-ethylhexanoate

C10H21NO2 — CID 42614420

IUPACethyl 2-amino-2-ethylhexanoate
SMILESCCCCC(N)(CC)C(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4-8,11H2,1-3H3
InChIKeyPUFPKUWTAGCFPT-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds6

About ethyl 2-amino-2-ethylhexanoate

ethyl 2-amino-2-ethylhexanoate (PubChem CID 42614420) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 2-amino-2-ethylhexanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-ethylhexanoate
PubChem CID42614420
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 2-amino-2-ethylhexanoate
SMILESCCCCC(N)(CC)C(=O)OCC
InChIInChI=1S/C10H21NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4-8,11H2,1-3H3
InChIKeyPUFPKUWTAGCFPT-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-ethylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-ethylhexanoate?
The IUPAC name of ethyl 2-amino-2-ethylhexanoate (CID 42614420) is ethyl 2-amino-2-ethylhexanoate.
What is the SMILES notation for ethyl 2-amino-2-ethylhexanoate?
The canonical SMILES for ethyl 2-amino-2-ethylhexanoate is CCCCC(N)(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-ethylhexanoate?
The InChIKey is PUFPKUWTAGCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7-8-10(11,5-2)9(12)13-6-3/h4-8,11H2,1-3H3.
What are the key properties of ethyl 2-amino-2-ethylhexanoate?
ethyl 2-amino-2-ethylhexanoate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-ethylhexanoate is sourced from PubChem (CID 42614420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).