(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid

C5H11NO3S — CID 11829787

IUPAC(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid
SMILESC[S@@](=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m1/s1
InChIKeyQEFRNWWLZKMPFJ-PHNJOPHVSA-N
MW165.21 g/mol
LogP-0.83
Rot. Bonds4

About (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid

(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid (PubChem CID 11829787) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid
PubChem CID11829787
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid
SMILESC[S@@](=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m1/s1
InChIKeyQEFRNWWLZKMPFJ-PHNJOPHVSA-N
XLogP-0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Methionine
CID 6137
L-Ethionine
CID 25674
Methionine Sulfoximine
CID 89034
(+-)-Methionine
CID 876
(2S)-2-ammonio-4-(methylsulfanyl)butanoate
CID 6992087
D-Methionine
CID 84815
L-Cystathionine
CID 439258
Vitamin U
CID 16217806
Methionine Sulfoxide
CID 158980
Methionine sulfoxide, DL-
CID 847
Cystathionine
CID 834
(-)-S-Methyl-L-cysteine
CID 24417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid (CID 11829787) is (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid is C[S@@](=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid?
The InChIKey is QEFRNWWLZKMPFJ-PHNJOPHVSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m1/s1.
What are the key properties of (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid?
(2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid has a molecular weight of 165.21 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[(R)-methylsulfinyl]butanoic acid is sourced from PubChem (CID 11829787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).