2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid

C9H19NO2S — CID 107755865

IUPAC2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
SMILESCC(C)C(C)SCCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-4-8(10)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyKDGXITOHTDYXNG-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.57
Rot. Bonds6

About 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid

2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid (PubChem CID 107755865) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
PubChem CID107755865
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
SMILESCC(C)C(C)SCCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-4-8(10)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyKDGXITOHTDYXNG-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
CID 66139313
(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-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-(2-propan-2-ylsulfanylethylsulfanyl)butanoic acid
CID 134211967
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The IUPAC name of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid (CID 107755865) is 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The canonical SMILES for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid is CC(C)C(C)SCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The InChIKey is KDGXITOHTDYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-4-8(10)9(11)12/h6-8H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid is sourced from PubChem (CID 107755865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).