(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid

C7H15NO3S — CID 166684315

IUPAC(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid
SMILESCO[C@H](C(=O)O)[C@H](N)CCSC
InChIInChI=1S/C7H15NO3S/c1-11-6(7(9)10)5(8)3-4-12-2/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyGWLUQMYAGQLFLD-RITPCOANSA-N
MW193.27 g/mol
LogP0.17
Rot. Bonds6

About (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid

(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid (PubChem CID 166684315) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid
PubChem CID166684315
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid
SMILESCO[C@H](C(=O)O)[C@H](N)CCSC
InChIInChI=1S/C7H15NO3S/c1-11-6(7(9)10)5(8)3-4-12-2/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyGWLUQMYAGQLFLD-RITPCOANSA-N
XLogP0.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methylsulfanylpentanoic acid
CID 103090629
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-aminooxy-4-methylsulfanylbutanoic acid
CID 548373
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);azane;sulfur monoxide;hydrochloride
CID 175409556
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid (CID 166684315) is (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid is CO[C@H](C(=O)O)[C@H](N)CCSC.
What is the InChIKey of (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid?
The InChIKey is GWLUQMYAGQLFLD-RITPCOANSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-11-6(7(9)10)5(8)3-4-12-2/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid?
(2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid has a molecular weight of 193.27 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-methoxy-5-methylsulfanylpentanoic acid is sourced from PubChem (CID 166684315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).