trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid

C7H12O3 — CID 57162752

IUPACtrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C7H12O3/c8-4-5-2-1-3-6(5)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyFREQHNJCYUFOQQ-WDSKDSINSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds2

About trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid

trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid (PubChem CID 57162752) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid
PubChem CID57162752
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1CO
InChIInChI=1S/C7H12O3/c8-4-5-2-1-3-6(5)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyFREQHNJCYUFOQQ-WDSKDSINSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid (CID 57162752) is trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@H]1CO.
What is the InChIKey of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid?
The InChIKey is FREQHNJCYUFOQQ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O3/c8-4-5-2-1-3-6(5)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid?
trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 57162752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).