(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid

C6H14N2O5S — CID 87289729

IUPAC(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
SMILESN[C@@H](CCS(=O)(=O)NCCO)C(=O)O
InChIInChI=1S/C6H14N2O5S/c7-5(6(10)11)1-4-14(12,13)8-2-3-9/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1
InChIKeyQWPCGRMRAXBIPK-YFKPBYRVSA-N
MW226.25 g/mol
LogP-2.30
Rot. Bonds7

About (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid

(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid (PubChem CID 87289729) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
PubChem CID87289729
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
SMILESN[C@@H](CCS(=O)(=O)NCCO)C(=O)O
InChIInChI=1S/C6H14N2O5S/c7-5(6(10)11)1-4-14(12,13)8-2-3-9/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1
InChIKeyQWPCGRMRAXBIPK-YFKPBYRVSA-N
XLogP-2.30
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-hydroxyethylsulfamoyl)propanoic acid
CID 89124334
2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
CID 155943355
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
(2S)-2-aminopentanedioic acid;2-(2-hydroxyethylamino)ethanol
CID 87905289
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
CID 98535121
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
3-amino-3-hydroxy-N-(3-oxopropyl)propane-1-sulfonamide
CID 22967400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid (CID 87289729) is (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid is N[C@@H](CCS(=O)(=O)NCCO)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid?
The InChIKey is QWPCGRMRAXBIPK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O5S/c7-5(6(10)11)1-4-14(12,13)8-2-3-9/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid?
(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid has a molecular weight of 226.25 g/mol, XLogP of -2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid is sourced from PubChem (CID 87289729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).