2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid

C5H12N2O5S — CID 89124334

IUPAC2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCCO)C(=O)O
InChIInChI=1S/C5H12N2O5S/c6-4(5(9)10)3-13(11,12)7-1-2-8/h4,7-8H,1-3,6H2,(H,9,10)
InChIKeyJIHUFGIMPPELCS-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.69
Rot. Bonds6

About 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid

2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid (PubChem CID 89124334) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
PubChem CID89124334
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCCO)C(=O)O
InChIInChI=1S/C5H12N2O5S/c6-4(5(9)10)3-13(11,12)7-1-2-8/h4,7-8H,1-3,6H2,(H,9,10)
InChIKeyJIHUFGIMPPELCS-UHFFFAOYSA-N
XLogP-2.69
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
CID 87289729
(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
CID 87434750
2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid
CID 70945469
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
CID 155943355
calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
(2S)-2-aminopentanedioic acid;2-(2-hydroxyethylamino)ethanol
CID 87905289
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid (CID 89124334) is 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid is NC(CS(=O)(=O)NCCO)C(=O)O.
What is the InChIKey of 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid?
The InChIKey is JIHUFGIMPPELCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c6-4(5(9)10)3-13(11,12)7-1-2-8/h4,7-8H,1-3,6H2,(H,9,10).
What are the key properties of 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid?
2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid has a molecular weight of 212.23 g/mol, XLogP of -2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid is sourced from PubChem (CID 89124334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).