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

C17H34N2O3Se — CID 150541114

IUPACdodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate
SMILESCCCCCCCCCCCCOC(=O)[C@H](C[SeH])NNC(C)=O
InChIInChI=1S/C17H34N2O3Se/c1-3-4-5-6-7-8-9-10-11-12-13-22-17(21)16(14-23)19-18-15(2)20/h16,19,23H,3-14H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyIFWWPCYZHVSGJM-INIZCTEOSA-N
MW393.43 g/mol
LogP2.78
Rot. Bonds15

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

dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate (PubChem CID 150541114) has the molecular formula C17H34N2O3Se and a molecular weight of 393.43 g/mol. Its IUPAC name is dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate.

Molecular Properties

Compound Namedodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate
PubChem CID150541114
Molecular FormulaC17H34N2O3Se
Molecular Weight393.43 g/mol
Exact Mass394.17
IUPAC Namedodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate
SMILESCCCCCCCCCCCCOC(=O)[C@H](C[SeH])NNC(C)=O
InChIInChI=1S/C17H34N2O3Se/c1-3-4-5-6-7-8-9-10-11-12-13-22-17(21)16(14-23)19-18-15(2)20/h16,19,23H,3-14H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyIFWWPCYZHVSGJM-INIZCTEOSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl (2R)-2-acetamido-3-selanylpropanoate
CID 154057509
octyl 2-acetamido-3-sulfanylpropanoate
CID 75292998
octyl 2-amino-3-selanylpropanoate
CID 174807396
octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
azane;methyl tetradecyl carbonate
CID 118914581
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
tridecyl (2R)-2-(methylamino)-3-sulfanylpropanoate
CID 87068792
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962

Frequently Asked Questions

What is the IUPAC name of dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate?
The IUPAC name of dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate (CID 150541114) is dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate.
What is the SMILES notation for dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate?
The canonical SMILES for dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate is CCCCCCCCCCCCOC(=O)[C@H](C[SeH])NNC(C)=O.
What is the InChIKey of dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate?
The InChIKey is IFWWPCYZHVSGJM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34N2O3Se/c1-3-4-5-6-7-8-9-10-11-12-13-22-17(21)16(14-23)19-18-15(2)20/h16,19,23H,3-14H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate?
dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate has a molecular weight of 393.43 g/mol, XLogP of 2.78, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl (2R)-2-(2-acetylhydrazinyl)-3-selanylpropanoate is sourced from PubChem (CID 150541114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).