methyl 2-amino-2-methylselanylpropanoate

C5H11NO2Se — CID 141138215

IUPACmethyl 2-amino-2-methylselanylpropanoate
SMILESCOC(=O)C(C)(N)[Se]C
InChIInChI=1S/C5H11NO2Se/c1-5(6,9-3)4(7)8-2/h6H2,1-3H3
InChIKeyXRNVDBRVHZWTSF-UHFFFAOYSA-N
MW196.11 g/mol
LogP-0.41
Rot. Bonds2

About methyl 2-amino-2-methylselanylpropanoate

methyl 2-amino-2-methylselanylpropanoate (PubChem CID 141138215) has the molecular formula C5H11NO2Se and a molecular weight of 196.11 g/mol. Its IUPAC name is methyl 2-amino-2-methylselanylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methylselanylpropanoate
PubChem CID141138215
Molecular FormulaC5H11NO2Se
Molecular Weight196.11 g/mol
Exact Mass197.00
IUPAC Namemethyl 2-amino-2-methylselanylpropanoate
SMILESCOC(=O)C(C)(N)[Se]C
InChIInChI=1S/C5H11NO2Se/c1-5(6,9-3)4(7)8-2/h6H2,1-3H3
InChIKeyXRNVDBRVHZWTSF-UHFFFAOYSA-N
XLogP-0.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 5-0.41
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 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
CID 87710360
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate
CID 105462709
methyl (2R)-2-amino-3-bromo-3,3-difluoro-2-methylpropanoate
CID 15939140
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methylselanylpropanoate?
The IUPAC name of methyl 2-amino-2-methylselanylpropanoate (CID 141138215) is methyl 2-amino-2-methylselanylpropanoate.
What is the SMILES notation for methyl 2-amino-2-methylselanylpropanoate?
The canonical SMILES for methyl 2-amino-2-methylselanylpropanoate is COC(=O)C(C)(N)[Se]C.
What is the InChIKey of methyl 2-amino-2-methylselanylpropanoate?
The InChIKey is XRNVDBRVHZWTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2Se/c1-5(6,9-3)4(7)8-2/h6H2,1-3H3.
What are the key properties of methyl 2-amino-2-methylselanylpropanoate?
methyl 2-amino-2-methylselanylpropanoate has a molecular weight of 196.11 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methylselanylpropanoate is sourced from PubChem (CID 141138215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).