(2S)-2-amino-3-phenylsulfanylpropanoic acid

C9H11NO2S — CID 10965476

IUPAC(2S)-2-amino-3-phenylsulfanylpropanoic acid
SMILESN[C@H](CSc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyXYUBQWNJDIAEES-MRVPVSSYSA-N
MW197.26 g/mol
LogP1.19
Rot. Bonds4

About (2S)-2-amino-3-phenylsulfanylpropanoic acid

(2S)-2-amino-3-phenylsulfanylpropanoic acid (PubChem CID 10965476) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylsulfanylpropanoic acid
PubChem CID10965476
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(2S)-2-amino-3-phenylsulfanylpropanoic acid
SMILESN[C@H](CSc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyXYUBQWNJDIAEES-MRVPVSSYSA-N
XLogP1.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylsulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-phenylsulfanylpropanoic acid (CID 10965476) is (2S)-2-amino-3-phenylsulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylsulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-phenylsulfanylpropanoic acid is N[C@H](CSc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylsulfanylpropanoic acid?
The InChIKey is XYUBQWNJDIAEES-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3-phenylsulfanylpropanoic acid?
(2S)-2-amino-3-phenylsulfanylpropanoic acid has a molecular weight of 197.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylsulfanylpropanoic acid is sourced from PubChem (CID 10965476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).