2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid

C9H15N3O4S — CID 95732757

IUPAC2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCC(C)(C)n1cc(S(=O)(=O)NCC(=O)O)cn1
InChIInChI=1S/C9H15N3O4S/c1-9(2,3)12-6-7(4-10-12)17(15,16)11-5-8(13)14/h4,6,11H,5H2,1-3H3,(H,13,14)
InChIKeyOPDXJGPYIHEQBC-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.00
Rot. Bonds4

About 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid

2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid (PubChem CID 95732757) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid
PubChem CID95732757
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCC(C)(C)n1cc(S(=O)(=O)NCC(=O)O)cn1
InChIInChI=1S/C9H15N3O4S/c1-9(2,3)12-6-7(4-10-12)17(15,16)11-5-8(13)14/h4,6,11H,5H2,1-3H3,(H,13,14)
InChIKeyOPDXJGPYIHEQBC-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid (CID 95732757) is 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid is CC(C)(C)n1cc(S(=O)(=O)NCC(=O)O)cn1.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is OPDXJGPYIHEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-9(2,3)12-6-7(4-10-12)17(15,16)11-5-8(13)14/h4,6,11H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid?
2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 261.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 95732757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).