2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid

C8H17NO3S — CID 66139313

IUPAC2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
SMILESCC(CCO)SCCC(N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-6(2-4-10)13-5-3-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyUTDVDFJBOXSVSL-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.29
Rot. Bonds7

About 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid

2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid (PubChem CID 66139313) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
PubChem CID66139313
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid
SMILESCC(CCO)SCCC(N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-6(2-4-10)13-5-3-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyUTDVDFJBOXSVSL-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 165347808
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139088
2-amino-4-methylsulfanylbutanoic acid
CID 876
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
potassium;sodium;2-amino-4-methylsulfanylbutanoic acid;hydride
CID 175209594
(2S)-2-amino-4-(2-propan-2-ylsulfanylethylsulfanyl)butanoic acid
CID 134211967
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
(2R)-2-amino-4-(hydroxymethylsulfanyl)butanoic acid
CID 87253525

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid?
The IUPAC name of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid (CID 66139313) is 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid?
The canonical SMILES for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid is CC(CCO)SCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid?
The InChIKey is UTDVDFJBOXSVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2-4-10)13-5-3-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid?
2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid has a molecular weight of 207.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxybutan-2-ylsulfanyl)butanoic acid is sourced from PubChem (CID 66139313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).