2-amino-3-methylsulfonylpropanoic acid;hydrochloride

C4H10ClNO4S — CID 138111044

IUPAC2-amino-3-methylsulfonylpropanoic acid;hydrochloride
SMILESCS(=O)(=O)CC(N)C(=O)O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-10(8,9)2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H
InChIKeyMEUMPLRNHYPMFB-UHFFFAOYSA-N
MW203.65 g/mol
LogP-1.14
Rot. Bonds3

About 2-amino-3-methylsulfonylpropanoic acid;hydrochloride

2-amino-3-methylsulfonylpropanoic acid;hydrochloride (PubChem CID 138111044) has the molecular formula C4H10ClNO4S and a molecular weight of 203.65 g/mol. Its IUPAC name is 2-amino-3-methylsulfonylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methylsulfonylpropanoic acid;hydrochloride
PubChem CID138111044
Molecular FormulaC4H10ClNO4S
Molecular Weight203.65 g/mol
Exact Mass203.00
IUPAC Name2-amino-3-methylsulfonylpropanoic acid;hydrochloride
SMILESCS(=O)(=O)CC(N)C(=O)O.Cl
InChIInChI=1S/C4H9NO4S.ClH/c1-10(8,9)2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H
InChIKeyMEUMPLRNHYPMFB-UHFFFAOYSA-N
XLogP-1.14
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
(2S)-2-hydroxy-3-methylsulfonylpropanoic acid
CID 88603665
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635
(2S)-2-amino-5-methylsulfonyloxy-5-oxopentanoic acid
CID 87765062
2-amino-4-bromo-4-methylsulfonylbutanoic acid
CID 87518292
(2S)-2-amino-4-chloropentanoic acid;hydrochloride
CID 141325915
2-amino-4-(2-methylsulfonylethylsulfanyl)butanoic acid
CID 60917450
(2S)-2-amino-4-methylsulfonylbutanoic acid;heptanoic acid
CID 87787288

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylsulfonylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-methylsulfonylpropanoic acid;hydrochloride (CID 138111044) is 2-amino-3-methylsulfonylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-methylsulfonylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-methylsulfonylpropanoic acid;hydrochloride is CS(=O)(=O)CC(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-3-methylsulfonylpropanoic acid;hydrochloride?
The InChIKey is MEUMPLRNHYPMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.ClH/c1-10(8,9)2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H.
What are the key properties of 2-amino-3-methylsulfonylpropanoic acid;hydrochloride?
2-amino-3-methylsulfonylpropanoic acid;hydrochloride has a molecular weight of 203.65 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylsulfonylpropanoic acid;hydrochloride is sourced from PubChem (CID 138111044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).