2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid

C9H19NO2S — CID 66230141

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
SMILESCC(C)C(SCC(C)(C)N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(8(11)12)13-5-9(3,4)10/h6-7H,5,10H2,1-4H3,(H,11,12)
InChIKeyWAATZKOKTGYZNB-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid

2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid (PubChem CID 66230141) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
PubChem CID66230141
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
SMILESCC(C)C(SCC(C)(C)N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(8(11)12)13-5-9(3,4)10/h6-7H,5,10H2,1-4H3,(H,11,12)
InChIKeyWAATZKOKTGYZNB-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66228973
3-(2-amino-2-methylpropyl)sulfanylbutanoic acid
CID 66229438
3-methyl-2-propylsulfanylbutanoic acid
CID 43188406
2-(2-hydroxypropylsulfanyl)-3-methylbutanoic acid
CID 105354037
2-tert-butylsulfanyl-3-methylbutanoic acid
CID 19381276
2-(5,5-difluorohexylsulfanyl)-3-methylbutanoic acid
CID 87340152
3-methyl-2-[2-(trifluoromethylsulfanyl)ethylsulfanyl]butanoic acid
CID 105353661
2-(2-amino-2-methylpropyl)sulfanyl-2-phenylacetic acid
CID 66228037
ethyl 2-(2-amino-2-methylpropyl)sulfanylbutanoate
CID 66230144
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
CID 107755772
3-methyl-2-(3-methylbut-3-enylsulfanyl)butanoic acid
CID 105353997
2-(2-methoxy-2-oxoethyl)sulfanyl-3-methylbutanoic acid
CID 43617838

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid (CID 66230141) is 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid is CC(C)C(SCC(C)(C)N)C(=O)O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid?
The InChIKey is WAATZKOKTGYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)7(8(11)12)13-5-9(3,4)10/h6-7H,5,10H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid?
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.57, 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)sulfanyl-3-methylbutanoic acid is sourced from PubChem (CID 66230141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).