2-(2-methylsulfanylpropanoylamino)propanoic acid

C7H13NO3S — CID 22950848

IUPAC2-(2-methylsulfanylpropanoylamino)propanoic acid
SMILESCSC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-4(7(10)11)8-6(9)5(2)12-3/h4-5H,1-3H3,(H,8,9)(H,10,11)
InChIKeyQLILATVJJXCUQF-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.33
Rot. Bonds4

About 2-(2-methylsulfanylpropanoylamino)propanoic acid

2-(2-methylsulfanylpropanoylamino)propanoic acid (PubChem CID 22950848) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylpropanoylamino)propanoic acid
PubChem CID22950848
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-(2-methylsulfanylpropanoylamino)propanoic acid
SMILESCSC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-4(7(10)11)8-6(9)5(2)12-3/h4-5H,1-3H3,(H,8,9)(H,10,11)
InChIKeyQLILATVJJXCUQF-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
N-methyl-2-methylsulfanylpropanamide
CID 55208447
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-methyl-3-(2-methylsulfanylpropanoylamino)propanoic acid
CID 115731422

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropanoylamino)propanoic acid?
The IUPAC name of 2-(2-methylsulfanylpropanoylamino)propanoic acid (CID 22950848) is 2-(2-methylsulfanylpropanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-methylsulfanylpropanoylamino)propanoic acid?
The canonical SMILES for 2-(2-methylsulfanylpropanoylamino)propanoic acid is CSC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-methylsulfanylpropanoylamino)propanoic acid?
The InChIKey is QLILATVJJXCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-4(7(10)11)8-6(9)5(2)12-3/h4-5H,1-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-(2-methylsulfanylpropanoylamino)propanoic acid?
2-(2-methylsulfanylpropanoylamino)propanoic acid has a molecular weight of 191.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropanoylamino)propanoic acid is sourced from PubChem (CID 22950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).