ethyl 5-amino-4-methyloctanoate

C11H23NO2 — CID 174963331

IUPACethyl 5-amino-4-methyloctanoate
SMILESCCCC(N)C(C)CCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-10(12)9(3)7-8-11(13)14-5-2/h9-10H,4-8,12H2,1-3H3
InChIKeyDBWLEUBQUWLULN-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds7

About ethyl 5-amino-4-methyloctanoate

ethyl 5-amino-4-methyloctanoate (PubChem CID 174963331) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 5-amino-4-methyloctanoate.

Molecular Properties

Compound Nameethyl 5-amino-4-methyloctanoate
PubChem CID174963331
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 5-amino-4-methyloctanoate
SMILESCCCC(N)C(C)CCC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-6-10(12)9(3)7-8-11(13)14-5-2/h9-10H,4-8,12H2,1-3H3
InChIKeyDBWLEUBQUWLULN-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-amino-4-methyloctanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4,5-dimethylnonanoate
CID 91431397
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194
ethyl (6S,7S)-6-amino-4,7-dimethyl-5-oxononanoate
CID 90335959
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
diethyl (2R)-2-acetylpentanedioate
CID 6993985
diethyl 4-acetylheptanedioate
CID 15669145
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl (4S)-4-methylnonanoate
CID 92950939

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-methyloctanoate?
The IUPAC name of ethyl 5-amino-4-methyloctanoate (CID 174963331) is ethyl 5-amino-4-methyloctanoate.
What is the SMILES notation for ethyl 5-amino-4-methyloctanoate?
The canonical SMILES for ethyl 5-amino-4-methyloctanoate is CCCC(N)C(C)CCC(=O)OCC.
What is the InChIKey of ethyl 5-amino-4-methyloctanoate?
The InChIKey is DBWLEUBQUWLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-10(12)9(3)7-8-11(13)14-5-2/h9-10H,4-8,12H2,1-3H3.
What are the key properties of ethyl 5-amino-4-methyloctanoate?
ethyl 5-amino-4-methyloctanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-methyloctanoate is sourced from PubChem (CID 174963331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).