trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid

C15H18O2 — CID 157371418

IUPACtrans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](C2(c3ccccc3)CC2)C1
InChIInChI=1S/C15H18O2/c16-14(17)11-6-7-13(10-11)15(8-9-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17)/t11-,13-/m1/s1
InChIKeySESXGUGQMKHJMG-DGCLKSJQSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds3

About trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid (PubChem CID 157371418) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid
PubChem CID157371418
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nametrans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@@H](C2(c3ccccc3)CC2)C1
InChIInChI=1S/C15H18O2/c16-14(17)11-6-7-13(10-11)15(8-9-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17)/t11-,13-/m1/s1
InChIKeySESXGUGQMKHJMG-DGCLKSJQSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid (CID 157371418) is trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@@H](C2(c3ccccc3)CC2)C1.
What is the InChIKey of trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid?
The InChIKey is SESXGUGQMKHJMG-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H18O2/c16-14(17)11-6-7-13(10-11)15(8-9-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,17)/t11-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid has a molecular weight of 230.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 157371418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).