(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid

C8H10N2O2S — CID 54502882

IUPAC(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid
SMILESN[C@@H](CSc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2S/c9-6(8(11)12)5-13-7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1
InChIKeyYDRASGSLDAABDG-LURJTMIESA-N
MW198.25 g/mol
LogP0.59
Rot. Bonds4

About (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid

(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid (PubChem CID 54502882) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid
PubChem CID54502882
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid
SMILESN[C@@H](CSc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2S/c9-6(8(11)12)5-13-7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1
InChIKeyYDRASGSLDAABDG-LURJTMIESA-N
XLogP0.59
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid (CID 54502882) is (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid is N[C@@H](CSc1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid?
The InChIKey is YDRASGSLDAABDG-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-6(8(11)12)5-13-7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid?
(2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid has a molecular weight of 198.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyridin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 54502882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).