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

C9H15N3O4S — CID 79792160

IUPAC2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-4-9(2,8(13)14)11-17(15,16)7-5-10-12(3)6-7/h5-6,11H,4H2,1-3H3,(H,13,14)
InChIKeyOVJNMZFCPAOZAO-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.05
Rot. Bonds5

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

2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (PubChem CID 79792160) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
PubChem CID79792160
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
SMILESCCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-4-9(2,8(13)14)11-17(15,16)7-5-10-12(3)6-7/h5-6,11H,4H2,1-3H3,(H,13,14)
InChIKeyOVJNMZFCPAOZAO-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
CID 43624452
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
CID 62487843
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanamide
CID 94809728
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(1-methoxy-2-phenylpropan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 71975852
4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid
CID 43361422
2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid (CID 79792160) is 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is CCC(C)(NS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
The InChIKey is OVJNMZFCPAOZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-4-9(2,8(13)14)11-17(15,16)7-5-10-12(3)6-7/h5-6,11H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid?
2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 79792160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).