3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid

C14H23N3O4S — CID 166279165

IUPAC3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCC(C)n1nccc1S(=O)(=O)N(CCC(=O)O)C1CCCC1
InChIInChI=1S/C14H23N3O4S/c1-11(2)17-13(7-9-15-17)22(20,21)16(10-8-14(18)19)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyBTTSAZFGJXOGRH-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.87
Rot. Bonds7

About 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid

3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 166279165) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID166279165
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCC(C)n1nccc1S(=O)(=O)N(CCC(=O)O)C1CCCC1
InChIInChI=1S/C14H23N3O4S/c1-11(2)17-13(7-9-15-17)22(20,21)16(10-8-14(18)19)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyBTTSAZFGJXOGRH-UHFFFAOYSA-N
XLogP1.87
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 166279165) is 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid is CC(C)n1nccc1S(=O)(=O)N(CCC(=O)O)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is BTTSAZFGJXOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11(2)17-13(7-9-15-17)22(20,21)16(10-8-14(18)19)12-5-3-4-6-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid?
3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 329.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(2-propan-2-ylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 166279165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).