3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

C9H14N2O5S — CID 43294290

IUPAC3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C9H14N2O5S/c1-6(12)8(9(13)14)10-17(15,16)7-3-4-11(2)5-7/h3-6,8,10,12H,1-2H3,(H,13,14)
InChIKeyAVZBVINJESJHDY-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.86
Rot. Bonds5

About 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid

3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (PubChem CID 43294290) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
PubChem CID43294290
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C9H14N2O5S/c1-6(12)8(9(13)14)10-17(15,16)7-3-4-11(2)5-7/h3-6,8,10,12H,1-2H3,(H,13,14)
InChIKeyAVZBVINJESJHDY-UHFFFAOYSA-N
XLogP-0.86
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid (CID 43294290) is 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is CC(O)C(NS(=O)(=O)c1ccn(C)c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
The InChIKey is AVZBVINJESJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-6(12)8(9(13)14)10-17(15,16)7-3-4-11(2)5-7/h3-6,8,10,12H,1-2H3,(H,13,14).
What are the key properties of 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid?
3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid has a molecular weight of 262.29 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43294290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).