2-(2-amino-2-methylpropyl)sulfanylbutanoic acid

C8H17NO2S — CID 66228973

IUPAC2-(2-amino-2-methylpropyl)sulfanylbutanoic acid
SMILESCCC(SCC(C)(C)N)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-4-6(7(10)11)12-5-8(2,3)9/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyWWZFEHLEFCCWGY-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.32
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid

2-(2-amino-2-methylpropyl)sulfanylbutanoic acid (PubChem CID 66228973) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanylbutanoic acid
PubChem CID66228973
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-amino-2-methylpropyl)sulfanylbutanoic acid
SMILESCCC(SCC(C)(C)N)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-4-6(7(10)11)12-5-8(2,3)9/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyWWZFEHLEFCCWGY-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate
CID 66230144
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 66230141
3-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66229438
2-(4,4-difluoropentylsulfanyl)butanoic acid
CID 87340871
2-(5,5-difluorohexylsulfanyl)butanoic acid
CID 87341258
2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
CID 66228037
2-undecylsulfanylbutanoic acid
CID 175534549
2-[(4-tert-butylphenyl)methylsulfanyl]butanoic acid
CID 57355922
2-(3-hydroxy-2-methylpropyl)sulfanylbutanoic acid
CID 66102840
2-(1-amino-1-oxobutan-2-yl)sulfanylbutanoic acid
CID 105353104
2-(trifluoromethylsulfanyl)butanoic acid
CID 105353365
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 105352992

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid (CID 66228973) is 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid is CCC(SCC(C)(C)N)C(=O)O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The InChIKey is WWZFEHLEFCCWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-6(7(10)11)12-5-8(2,3)9/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
2-(2-amino-2-methylpropyl)sulfanylbutanoic acid has a molecular weight of 191.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanylbutanoic acid is sourced from PubChem (CID 66228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).