(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid

C11H15NO2S — CID 10900300

IUPAC(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NCCc1ccccc1
InChIInChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyTZUOMPROKVAFNT-JTQLQIEISA-N
MW225.31 g/mol
LogP1.20
Rot. Bonds6

About (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid

(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid (PubChem CID 10900300) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid
PubChem CID10900300
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NCCc1ccccc1
InChIInChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyTZUOMPROKVAFNT-JTQLQIEISA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid (CID 10900300) is (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)NCCc1ccccc1.
What is the InChIKey of (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid?
The InChIKey is TZUOMPROKVAFNT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)10(8-15)12-7-6-9-4-2-1-3-5-9/h1-5,10,12,15H,6-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid?
(2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid has a molecular weight of 225.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-phenylethylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 10900300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).