2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid

C15H20O2 — CID 58626987

IUPAC2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
SMILESC[C@@H]1CC[C@](CC(=O)O)(Cc2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-12-7-8-15(9-12,11-14(16)17)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17)/t12-,15-/m1/s1
InChIKeyICPGNFMQMYVJQG-IUODEOHRSA-N
MW232.32 g/mol
LogP3.51
Rot. Bonds4

About 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid

2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid (PubChem CID 58626987) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
PubChem CID58626987
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
SMILESC[C@@H]1CC[C@](CC(=O)O)(Cc2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-12-7-8-15(9-12,11-14(16)17)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17)/t12-,15-/m1/s1
InChIKeyICPGNFMQMYVJQG-IUODEOHRSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid (CID 58626987) is 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid is C[C@@H]1CC[C@](CC(=O)O)(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid?
The InChIKey is ICPGNFMQMYVJQG-IUODEOHRSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-7-8-15(9-12,11-14(16)17)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,16,17)/t12-,15-/m1/s1.
What are the key properties of 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid?
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid is sourced from PubChem (CID 58626987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).