2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

C10H17N3O4S — CID 54929856

IUPAC2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-4-7(2)13(6-10(14)15)18(16,17)9-5-11-12-8(9)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyAOCBFOTYICIMFP-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.59
Rot. Bonds6

About 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (PubChem CID 54929856) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
PubChem CID54929856
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-4-7(2)13(6-10(14)15)18(16,17)9-5-11-12-8(9)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyAOCBFOTYICIMFP-UHFFFAOYSA-N
XLogP0.59
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (CID 54929856) is 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is CCC(C)N(CC(=O)O)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The InChIKey is AOCBFOTYICIMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-7(2)13(6-10(14)15)18(16,17)9-5-11-12-8(9)3/h5,7H,4,6H2,1-3H3,(H,11,12)(H,14,15).
What are the key properties of 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 54929856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).