dodecyl (2R)-2-acetamido-3-selanylpropanoate

C17H33NO3Se — CID 154057509

IUPACdodecyl (2R)-2-acetamido-3-selanylpropanoate
SMILESCCCCCCCCCCCCOC(=O)[C@H](C[SeH])NC(C)=O
InChIInChI=1S/C17H33NO3Se/c1-3-4-5-6-7-8-9-10-11-12-13-21-17(20)16(14-22)18-15(2)19/h16,22H,3-14H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyZSOLRHNEBMNIIE-INIZCTEOSA-N
MW378.42 g/mol
LogP3.27
Rot. Bonds14

About dodecyl (2R)-2-acetamido-3-selanylpropanoate

dodecyl (2R)-2-acetamido-3-selanylpropanoate (PubChem CID 154057509) has the molecular formula C17H33NO3Se and a molecular weight of 378.42 g/mol. Its IUPAC name is dodecyl (2R)-2-acetamido-3-selanylpropanoate.

Molecular Properties

Compound Namedodecyl (2R)-2-acetamido-3-selanylpropanoate
PubChem CID154057509
Molecular FormulaC17H33NO3Se
Molecular Weight378.42 g/mol
Exact Mass379.16
IUPAC Namedodecyl (2R)-2-acetamido-3-selanylpropanoate
SMILESCCCCCCCCCCCCOC(=O)[C@H](C[SeH])NC(C)=O
InChIInChI=1S/C17H33NO3Se/c1-3-4-5-6-7-8-9-10-11-12-13-21-17(20)16(14-22)18-15(2)19/h16,22H,3-14H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyZSOLRHNEBMNIIE-INIZCTEOSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.27
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

dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate
CID 150541114
octyl 2-acetamido-3-sulfanylpropanoate
CID 75292998
octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
octyl 2-amino-3-selanylpropanoate
CID 174807396
dodecyl (2R)-2-(acetylselanylamino)-3-sulfanylpropanoate
CID 87067717
butyl 2-acetamido-6-aminohexanoate
CID 527831
butyl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112698
(1-octoxy-1-oxoheptan-2-yl)carbamic acid
CID 21259369
methyl 2-acetamidooctanoate
CID 6429509
azane;methyl tetradecyl carbonate
CID 118914581
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033

Frequently Asked Questions

What is the IUPAC name of dodecyl (2R)-2-acetamido-3-selanylpropanoate?
The IUPAC name of dodecyl (2R)-2-acetamido-3-selanylpropanoate (CID 154057509) is dodecyl (2R)-2-acetamido-3-selanylpropanoate.
What is the SMILES notation for dodecyl (2R)-2-acetamido-3-selanylpropanoate?
The canonical SMILES for dodecyl (2R)-2-acetamido-3-selanylpropanoate is CCCCCCCCCCCCOC(=O)[C@H](C[SeH])NC(C)=O.
What is the InChIKey of dodecyl (2R)-2-acetamido-3-selanylpropanoate?
The InChIKey is ZSOLRHNEBMNIIE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33NO3Se/c1-3-4-5-6-7-8-9-10-11-12-13-21-17(20)16(14-22)18-15(2)19/h16,22H,3-14H2,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of dodecyl (2R)-2-acetamido-3-selanylpropanoate?
dodecyl (2R)-2-acetamido-3-selanylpropanoate has a molecular weight of 378.42 g/mol, XLogP of 3.27, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2R)-2-acetamido-3-selanylpropanoate is sourced from PubChem (CID 154057509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).