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

C10H17N3O4S — CID 43172838

IUPAC3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-4-7(2)9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15)
InChIKeyJBFPTDCJGSCRTI-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.20
Rot. Bonds6

About 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid

3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (PubChem CID 43172838) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
PubChem CID43172838
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-4-7(2)9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15)
InChIKeyJBFPTDCJGSCRTI-UHFFFAOYSA-N
XLogP0.20
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid (CID 43172838) is 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is CCC(C)C(NS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
The InChIKey is JBFPTDCJGSCRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-7(2)9(10(14)15)12-18(16,17)8-5-11-13(3)6-8/h5-7,9,12H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid?
3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43172838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).