2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

C8H13N3O4S — CID 104709578

IUPAC2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-8(2,7(12)13)10-16(14,15)6-4-5-9-11(6)3/h4-5,10H,1-3H3,(H,12,13)
InChIKeyGVBVBSZFQQNMCK-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.44
Rot. Bonds4

About 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 104709578) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID104709578
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-8(2,7(12)13)10-16(14,15)6-4-5-9-11(6)3/h4-5,10H,1-3H3,(H,12,13)
InChIKeyGVBVBSZFQQNMCK-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 104709578) is 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is Cn1nccc1S(=O)(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is GVBVBSZFQQNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-8(2,7(12)13)10-16(14,15)6-4-5-9-11(6)3/h4-5,10H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 247.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 104709578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).