amino (2R)-2-amino-2-methylsulfanylpropanoate

C4H10N2O2S — CID 155479757

IUPACamino (2R)-2-amino-2-methylsulfanylpropanoate
SMILESCS[C@@](C)(N)C(=O)ON
InChIInChI=1S/C4H10N2O2S/c1-4(5,9-2)3(7)8-6/h5-6H2,1-2H3/t4-/m1/s1
InChIKeyOGILXUYIYKWHKY-SCSAIBSYSA-N
MW150.20 g/mol
LogP-0.56
Rot. Bonds2

About amino (2R)-2-amino-2-methylsulfanylpropanoate

amino (2R)-2-amino-2-methylsulfanylpropanoate (PubChem CID 155479757) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is amino (2R)-2-amino-2-methylsulfanylpropanoate.

Molecular Properties

Compound Nameamino (2R)-2-amino-2-methylsulfanylpropanoate
PubChem CID155479757
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Nameamino (2R)-2-amino-2-methylsulfanylpropanoate
SMILESCS[C@@](C)(N)C(=O)ON
InChIInChI=1S/C4H10N2O2S/c1-4(5,9-2)3(7)8-6/h5-6H2,1-2H3/t4-/m1/s1
InChIKeyOGILXUYIYKWHKY-SCSAIBSYSA-N
XLogP-0.56
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino (2R)-2-amino-2-methylsulfanylpropanoate?
The IUPAC name of amino (2R)-2-amino-2-methylsulfanylpropanoate (CID 155479757) is amino (2R)-2-amino-2-methylsulfanylpropanoate.
What is the SMILES notation for amino (2R)-2-amino-2-methylsulfanylpropanoate?
The canonical SMILES for amino (2R)-2-amino-2-methylsulfanylpropanoate is CS[C@@](C)(N)C(=O)ON.
What is the InChIKey of amino (2R)-2-amino-2-methylsulfanylpropanoate?
The InChIKey is OGILXUYIYKWHKY-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-4(5,9-2)3(7)8-6/h5-6H2,1-2H3/t4-/m1/s1.
What are the key properties of amino (2R)-2-amino-2-methylsulfanylpropanoate?
amino (2R)-2-amino-2-methylsulfanylpropanoate has a molecular weight of 150.20 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2R)-2-amino-2-methylsulfanylpropanoate is sourced from PubChem (CID 155479757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).