methyl 2-amino-3-selanylpropanoate

C4H9NO2Se — CID 174947260

IUPACmethyl 2-amino-3-selanylpropanoate
SMILESCOC(=O)C(N)C[SeH]
InChIInChI=1S/C4H9NO2Se/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3
InChIKeyWSUOTOSVKNIGTG-UHFFFAOYSA-N
MW182.08 g/mol
LogP-1.19
Rot. Bonds2

About methyl 2-amino-3-selanylpropanoate

methyl 2-amino-3-selanylpropanoate (PubChem CID 174947260) has the molecular formula C4H9NO2Se and a molecular weight of 182.08 g/mol. Its IUPAC name is methyl 2-amino-3-selanylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-selanylpropanoate
PubChem CID174947260
Molecular FormulaC4H9NO2Se
Molecular Weight182.08 g/mol
Exact Mass182.98
IUPAC Namemethyl 2-amino-3-selanylpropanoate
SMILESCOC(=O)C(N)C[SeH]
InChIInChI=1S/C4H9NO2Se/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3
InChIKeyWSUOTOSVKNIGTG-UHFFFAOYSA-N
XLogP-1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl 2-aminopentanoate
CID 533890
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-selanylpropanoate?
The IUPAC name of methyl 2-amino-3-selanylpropanoate (CID 174947260) is methyl 2-amino-3-selanylpropanoate.
What is the SMILES notation for methyl 2-amino-3-selanylpropanoate?
The canonical SMILES for methyl 2-amino-3-selanylpropanoate is COC(=O)C(N)C[SeH].
What is the InChIKey of methyl 2-amino-3-selanylpropanoate?
The InChIKey is WSUOTOSVKNIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2Se/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3.
What are the key properties of methyl 2-amino-3-selanylpropanoate?
methyl 2-amino-3-selanylpropanoate has a molecular weight of 182.08 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-selanylpropanoate is sourced from PubChem (CID 174947260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).