2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid

C10H19NO3S — CID 79792644

IUPAC2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)CSC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-10(4,9(13)14)11-8(12)6-15-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWJSBLEIITLOGDR-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.50
Rot. Bonds6

About 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid

2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid (PubChem CID 79792644) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
PubChem CID79792644
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)CSC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-5-10(4,9(13)14)11-8(12)6-15-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWJSBLEIITLOGDR-UHFFFAOYSA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbutanoic acid
CID 79792860
2-methyl-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 79800969
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 79792319
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 103705755
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
CID 119199520
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
2-[[3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylbutanoic acid
CID 79798556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid (CID 79792644) is 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid is CCC(C)(NC(=O)CSC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid?
The InChIKey is WJSBLEIITLOGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-10(4,9(13)14)11-8(12)6-15-7(2)3/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid?
2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid is sourced from PubChem (CID 79792644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).