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

C13H16O2 — CID 95438610

IUPACtrans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc([C@@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C13H16O2/c1-9-3-2-4-10(7-9)11-5-6-12(8-11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyKTCBGPZTPJVIRP-VXGBXAGGSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds2

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

trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 95438610) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID95438610
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nametrans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cccc([C@@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C13H16O2/c1-9-3-2-4-10(7-9)11-5-6-12(8-11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1
InChIKeyKTCBGPZTPJVIRP-VXGBXAGGSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
1-chloro-3-(3-methylphenyl)cycloheptane
CID 64506624
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]cyclopentyl]benzene
CID 163917295
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
1-methyl-3-(4-methylsulfonylcyclohexyl)benzene
CID 142555015
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
1-bromo-3-(3-methylphenyl)cycloheptane
CID 64509415
(2S)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 129435444
(2R)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 99849301

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid (CID 95438610) is trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid is Cc1cccc([C@@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is KTCBGPZTPJVIRP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-3-2-4-10(7-9)11-5-6-12(8-11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 204.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 95438610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).