(2R)-2-amino-4-methylsulfonylbutanoic acid

C5H11NO4S — CID 6997234

IUPAC(2R)-2-amino-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyUCUNFLYVYCGDHP-SCSAIBSYSA-N
MW181.21 g/mol
LogP-1.17
Rot. Bonds4

About (2R)-2-amino-4-methylsulfonylbutanoic acid

(2R)-2-amino-4-methylsulfonylbutanoic acid (PubChem CID 6997234) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfonylbutanoic acid
PubChem CID6997234
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name(2R)-2-amino-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyUCUNFLYVYCGDHP-SCSAIBSYSA-N
XLogP-1.17
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Methionine
CID 6137
L-Ethionine
CID 25674
Methionine Sulfoximine
CID 89034
(+-)-Methionine
CID 876
D-Methionine
CID 84815
Vitamin U
CID 16217806
Methionine Sulfoxide
CID 158980
Methionine sulfoxide, DL-
CID 847
2-amino-4-(S-butylsulfonimidoyl)butanoic acid
CID 21157
Methionine Sulfone
CID 445282
D-Ethionine
CID 92124
DL-Ethionine
CID 6205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfonylbutanoic acid?
The IUPAC name of (2R)-2-amino-4-methylsulfonylbutanoic acid (CID 6997234) is (2R)-2-amino-4-methylsulfonylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-methylsulfonylbutanoic acid?
The canonical SMILES for (2R)-2-amino-4-methylsulfonylbutanoic acid is CS(=O)(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-methylsulfonylbutanoic acid?
The InChIKey is UCUNFLYVYCGDHP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfonylbutanoic acid?
(2R)-2-amino-4-methylsulfonylbutanoic acid has a molecular weight of 181.21 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 6997234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).