2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid

C6H9N3O5S — CID 66167517

IUPAC2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C6H9N3O5S/c10-4(6(11)12)1-9-15(13,14)5-2-7-3-8-5/h2-4,9-10H,1H2,(H,7,8)(H,11,12)
InChIKeyXQSZYMJZSFEGSF-UHFFFAOYSA-N
MW235.22 g/mol
LogP-1.87
Rot. Bonds5

About 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid

2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid (PubChem CID 66167517) has the molecular formula C6H9N3O5S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
PubChem CID66167517
Molecular FormulaC6H9N3O5S
Molecular Weight235.22 g/mol
Exact Mass235.03
IUPAC Name2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)C(O)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C6H9N3O5S/c10-4(6(11)12)1-9-15(13,14)5-2-7-3-8-5/h2-4,9-10H,1H2,(H,7,8)(H,11,12)
InChIKeyXQSZYMJZSFEGSF-UHFFFAOYSA-N
XLogP-1.87
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
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(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
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(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-imidazole-5-sulfonamide
CID 115361933
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
CID 103824162
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
2-(1H-imidazol-5-ylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786144
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid (CID 66167517) is 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid is O=C(O)C(O)CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid?
The InChIKey is XQSZYMJZSFEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5S/c10-4(6(11)12)1-9-15(13,14)5-2-7-3-8-5/h2-4,9-10H,1H2,(H,7,8)(H,11,12).
What are the key properties of 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid?
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid has a molecular weight of 235.22 g/mol, XLogP of -1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 66167517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).