(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid

C7H12O3 — CID 135389555

IUPAC(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6-/m0/s1
InChIKeyLBXGBQDKZKMWJO-JKUQZMGJSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds1

About (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid

(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid (PubChem CID 135389555) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
PubChem CID135389555
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)C[C@@H]1O
InChIInChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6-/m0/s1
InChIKeyLBXGBQDKZKMWJO-JKUQZMGJSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid (CID 135389555) is (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid is C[C@H]1C[C@@H](C(=O)O)C[C@@H]1O.
What is the InChIKey of (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is LBXGBQDKZKMWJO-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-2-5(7(9)10)3-6(4)8/h4-6,8H,2-3H2,1H3,(H,9,10)/t4-,5+,6-/m0/s1.
What are the key properties of (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid?
(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 135389555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).