ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride

C11H24ClNO2 — CID 11817243

IUPACethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
SMILESCCCCCC[C@](C)(N)C(=O)OCC.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-6-7-8-9-11(3,12)10(13)14-5-2;/h4-9,12H2,1-3H3;1H/t11-;/m0./s1
InChIKeyBRJBCYSUUANOAQ-MERQFXBCSA-N
MW237.77 g/mol
LogP2.66
Rot. Bonds7

About ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride

ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride (PubChem CID 11817243) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
PubChem CID11817243
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Nameethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
SMILESCCCCCC[C@](C)(N)C(=O)OCC.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-4-6-7-8-9-11(3,12)10(13)14-5-2;/h4-9,12H2,1-3H3;1H/t11-;/m0./s1
InChIKeyBRJBCYSUUANOAQ-MERQFXBCSA-N
XLogP2.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 52.66
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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Related Compounds

ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
2-amino-2-methyltetradecanamide
CID 175155192
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
hexyl (2S)-2-amino-2-methylbutanoate;hydrochloride
CID 162724688
acetic acid;ethyl 2,2-diheptylnonanoate
CID 87375889
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
ethyl (2S)-2-amino-5,5-dichloro-2-methylpentanoate;hydrochloride
CID 167527614
triethyl pentadecane-1,2,2-tricarboxylate
CID 86108292

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride (CID 11817243) is ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride is CCCCCC[C@](C)(N)C(=O)OCC.Cl.
What is the InChIKey of ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride?
The InChIKey is BRJBCYSUUANOAQ-MERQFXBCSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-4-6-7-8-9-11(3,12)10(13)14-5-2;/h4-9,12H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride?
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride is sourced from PubChem (CID 11817243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).