2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

C10H19NO3S — CID 115731634

IUPAC2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(5-15-4)8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFLWYJZAXJSWHPI-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.21
Rot. Bonds6

About 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid

2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (PubChem CID 115731634) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
PubChem CID115731634
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
SMILESCSCC(C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(5-15-4)8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFLWYJZAXJSWHPI-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylpent-4-enoylamino)-2,2-dimethylpropanoic acid
CID 120687904
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
(2S)-2-methyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-3-methylsulfanylpropanamide
CID 96547637
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
2,2-dimethyl-3-(2,2,3-trimethylbutylcarbamoylamino)propanoic acid
CID 114101334
7-[(2-methyl-3-methylsulfanylpropanoyl)amino]heptanoic acid
CID 119227388
2-methyl-3-methylsulfanylpropanehydrazide
CID 63580360
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid (CID 115731634) is 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is CSCC(C)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
The InChIKey is FLWYJZAXJSWHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(5-15-4)8(12)11-6-10(2,3)9(13)14/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid?
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 115731634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).