(2R)-2-amino-3-methylsulfonylpropanoic acid

C4H9NO4S — CID 11283261

IUPAC(2R)-2-amino-3-methylsulfonylpropanoic acid
SMILESCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO4S/c1-10(8,9)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyAINYOQVNQVOYSR-VKHMYHEASA-N
MW167.19 g/mol
LogP-1.56
Rot. Bonds3

About (2R)-2-amino-3-methylsulfonylpropanoic acid

(2R)-2-amino-3-methylsulfonylpropanoic acid (PubChem CID 11283261) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is (2R)-2-amino-3-methylsulfonylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methylsulfonylpropanoic acid
PubChem CID11283261
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name(2R)-2-amino-3-methylsulfonylpropanoic acid
SMILESCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO4S/c1-10(8,9)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyAINYOQVNQVOYSR-VKHMYHEASA-N
XLogP-1.56
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.56
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-methylsulfonylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-methylsulfonylpropanoic acid (CID 11283261) is (2R)-2-amino-3-methylsulfonylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-methylsulfonylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-methylsulfonylpropanoic acid is CS(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-methylsulfonylpropanoic acid?
The InChIKey is AINYOQVNQVOYSR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO4S/c1-10(8,9)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-3-methylsulfonylpropanoic acid?
(2R)-2-amino-3-methylsulfonylpropanoic acid has a molecular weight of 167.19 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylsulfonylpropanoic acid is sourced from PubChem (CID 11283261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).