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

C4H9NO2S — CID 24417

IUPAC(2R)-2-amino-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyIDIDJDIHTAOVLG-VKHMYHEASA-N
MW135.19 g/mol
LogP-0.24
Rot. Bonds3

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

(2R)-2-amino-3-methylsulfanylpropanoic acid (PubChem CID 24417) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (2R)-2-amino-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-methylsulfanylpropanoic acid
PubChem CID24417
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(2R)-2-amino-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyIDIDJDIHTAOVLG-VKHMYHEASA-N
XLogP-0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-methylsulfanylpropanoic acid (CID 24417) is (2R)-2-amino-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-methylsulfanylpropanoic acid is CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-methylsulfanylpropanoic acid?
The InChIKey is IDIDJDIHTAOVLG-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-3-methylsulfanylpropanoic acid?
(2R)-2-amino-3-methylsulfanylpropanoic acid has a molecular weight of 135.19 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 24417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).