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

C10H14N2O2 — CID 83858874

IUPAC2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)8-6-4-3-5-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOTGKTVDBCMLWQW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.26
Rot. Bonds2

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

2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (PubChem CID 83858874) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
PubChem CID83858874
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1CCC2
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)8-6-4-3-5-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyOTGKTVDBCMLWQW-UHFFFAOYSA-N
XLogP1.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid (CID 83858874) is 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is CC(C)(C(=O)O)c1n[nH]c2c1CCC2.
What is the InChIKey of 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
The InChIKey is OTGKTVDBCMLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,9(13)14)8-6-4-3-5-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid?
2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83858874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).