(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

C11H20O4 — CID 66752720

IUPAC(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)O[C@@H]1C[C@](C)(C(=O)O)C[C@H]1O
InChIInChI=1S/C11H20O4/c1-10(2,3)15-8-6-11(4,9(13)14)5-7(8)12/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,11-/m1/s1
InChIKeyVVYAQLLOLSLAES-SOCHQFKDSA-N
MW216.28 g/mol
LogP1.42
Rot. Bonds2

About (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (PubChem CID 66752720) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
PubChem CID66752720
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)O[C@@H]1C[C@](C)(C(=O)O)C[C@H]1O
InChIInChI=1S/C11H20O4/c1-10(2,3)15-8-6-11(4,9(13)14)5-7(8)12/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,11-/m1/s1
InChIKeyVVYAQLLOLSLAES-SOCHQFKDSA-N
XLogP1.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (CID 66752720) is (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is CC(C)(C)O[C@@H]1C[C@](C)(C(=O)O)C[C@H]1O.
What is the InChIKey of (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The InChIKey is VVYAQLLOLSLAES-SOCHQFKDSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)15-8-6-11(4,9(13)14)5-7(8)12/h7-8,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,11-/m1/s1.
What are the key properties of (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66752720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).