(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid

C8H10N2O3S — CID 163036727

IUPAC(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid
SMILESN[C@@H](C[S@](=O)c1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6(8(11)12)5-14(13)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-,14-/m0/s1
InChIKeyGEEYSZOZRVCUSX-MDAAJZPYSA-N
MW214.25 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid

(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid (PubChem CID 163036727) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid
PubChem CID163036727
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid
SMILESN[C@@H](C[S@](=O)c1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6(8(11)12)5-14(13)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-,14-/m0/s1
InChIKeyGEEYSZOZRVCUSX-MDAAJZPYSA-N
XLogP-0.40
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.40
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-[(S)-pyridin-2-ylsulfinyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid (CID 163036727) is (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid is N[C@@H](C[S@](=O)c1ccccn1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid?
The InChIKey is GEEYSZOZRVCUSX-MDAAJZPYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-6(8(11)12)5-14(13)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)/t6-,14-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid?
(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid has a molecular weight of 214.25 g/mol, XLogP of -0.40, 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-[(S)-pyridin-2-ylsulfinyl]propanoic acid is sourced from PubChem (CID 163036727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).