octyl 2-amino-3-selanylpropanoate

C11H23NO2Se — CID 174807396

IUPACoctyl 2-amino-3-selanylpropanoate
SMILESCCCCCCCCOC(=O)C(N)C[SeH]
InChIInChI=1S/C11H23NO2Se/c1-2-3-4-5-6-7-8-14-11(13)10(12)9-15/h10,15H,2-9,12H2,1H3
InChIKeyIDEAIOJSZXSRMV-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.54
Rot. Bonds9

About octyl 2-amino-3-selanylpropanoate

octyl 2-amino-3-selanylpropanoate (PubChem CID 174807396) has the molecular formula C11H23NO2Se and a molecular weight of 280.27 g/mol. Its IUPAC name is octyl 2-amino-3-selanylpropanoate.

Molecular Properties

Compound Nameoctyl 2-amino-3-selanylpropanoate
PubChem CID174807396
Molecular FormulaC11H23NO2Se
Molecular Weight280.27 g/mol
Exact Mass281.09
IUPAC Nameoctyl 2-amino-3-selanylpropanoate
SMILESCCCCCCCCOC(=O)C(N)C[SeH]
InChIInChI=1S/C11H23NO2Se/c1-2-3-4-5-6-7-8-14-11(13)10(12)9-15/h10,15H,2-9,12H2,1H3
InChIKeyIDEAIOJSZXSRMV-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

decyl 2-aminobutanoate
CID 5124907
heptyl (2R)-2-aminopentanoate
CID 107565724
hexadecyl (2S)-2-aminohexanoate
CID 10808138
heptyl 2-aminopentanoate
CID 61302463
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
dodecyl 2-aminododecanoate
CID 175586127
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
dodecyl 2-amino-3-[(2-amino-3-dodecoxy-3-oxopropyl)disulfanyl]propanoate
CID 87067538
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
hexyl 2-amino-4-oxopentanoate
CID 87214543
tetradecyl (2R)-2-amino-3-[[(2R)-2-amino-3-oxo-3-tetradecoxypropyl]disulfanyl]propanoate
CID 87067537
dihexyl (2R)-2-aminopentanedioate
CID 87498981

Frequently Asked Questions

What is the IUPAC name of octyl 2-amino-3-selanylpropanoate?
The IUPAC name of octyl 2-amino-3-selanylpropanoate (CID 174807396) is octyl 2-amino-3-selanylpropanoate.
What is the SMILES notation for octyl 2-amino-3-selanylpropanoate?
The canonical SMILES for octyl 2-amino-3-selanylpropanoate is CCCCCCCCOC(=O)C(N)C[SeH].
What is the InChIKey of octyl 2-amino-3-selanylpropanoate?
The InChIKey is IDEAIOJSZXSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2Se/c1-2-3-4-5-6-7-8-14-11(13)10(12)9-15/h10,15H,2-9,12H2,1H3.
What are the key properties of octyl 2-amino-3-selanylpropanoate?
octyl 2-amino-3-selanylpropanoate has a molecular weight of 280.27 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-amino-3-selanylpropanoate is sourced from PubChem (CID 174807396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).