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

C9H15N3O4S — CID 104709733

IUPAC2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-9(2,8(13)14)6-11-17(15,16)7-4-5-10-12(7)3/h4-5,11H,6H2,1-3H3,(H,13,14)
InChIKeyRESUWWLFHWSWHS-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.19
Rot. Bonds5

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

2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 104709733) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID104709733
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-9(2,8(13)14)6-11-17(15,16)7-4-5-10-12(7)3/h4-5,11H,6H2,1-3H3,(H,13,14)
InChIKeyRESUWWLFHWSWHS-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 104709733) is 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is Cn1nccc1S(=O)(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is RESUWWLFHWSWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-9(2,8(13)14)6-11-17(15,16)7-4-5-10-12(7)3/h4-5,11H,6H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 104709733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).