3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

C11H16N2O2 — CID 83858877

IUPAC3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H16N2O2/c1-6(2)9(11(14)15)10-7-4-3-5-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPOZXEJSXFLQROW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid

3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (PubChem CID 83858877) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
PubChem CID83858877
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H16N2O2/c1-6(2)9(11(14)15)10-7-4-3-5-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPOZXEJSXFLQROW-UHFFFAOYSA-N
XLogP1.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid (CID 83858877) is 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is CC(C)C(C(=O)O)c1n[nH]c2c1CCC2.
What is the InChIKey of 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
The InChIKey is POZXEJSXFLQROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)9(11(14)15)10-7-4-3-5-8(7)12-13-10/h6,9H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid?
3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).