3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid

C8H13N3O5S — CID 43361235

IUPAC3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-9-11(2)4-6/h3-5,7,10,12H,1-2H3,(H,13,14)
InChIKeyBNLDTFCPXGJXBT-UHFFFAOYSA-N
MW263.28 g/mol
LogP-1.47
Rot. Bonds5

About 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid

3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 43361235) has the molecular formula C8H13N3O5S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID43361235
Molecular FormulaC8H13N3O5S
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-9-11(2)4-6/h3-5,7,10,12H,1-2H3,(H,13,14)
InChIKeyBNLDTFCPXGJXBT-UHFFFAOYSA-N
XLogP-1.47
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (CID 43361235) is 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is CC(O)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is BNLDTFCPXGJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-5(12)7(8(13)14)10-17(15,16)6-3-9-11(2)4-6/h3-5,7,10,12H,1-2H3,(H,13,14).
What are the key properties of 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 263.28 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43361235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).