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

C10H21NO2S — CID 107755874

IUPAC2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
SMILESCC(C)C(C)SCCC(C)(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-5-10(4,11)9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyYYRBPSJDERLXMS-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.96
Rot. Bonds6

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

2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid (PubChem CID 107755874) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
PubChem CID107755874
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
SMILESCC(C)C(C)SCCC(C)(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-5-10(4,11)9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyYYRBPSJDERLXMS-UHFFFAOYSA-N
XLogP1.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
CID 107755772
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
CID 107764946
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
CID 107755651
2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
CID 107764728
CID 173125900
CID 173125900
2-amino-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755865
ethyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755733
methyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755859
2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755851
2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
CID 107755001

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid (CID 107755874) is 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid is CC(C)C(C)SCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
The InChIKey is YYRBPSJDERLXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-7(2)8(3)14-6-5-10(4,11)9(12)13/h7-8H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid?
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid has a molecular weight of 219.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid is sourced from PubChem (CID 107755874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).