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

C10H18O4 — CID 68663178

IUPAC(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)O[C@@H]1C[C@H](C(=O)O)C[C@H]1O
InChIInChI=1S/C10H18O4/c1-10(2,3)14-8-5-6(9(12)13)4-7(8)11/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-,8-/m1/s1
InChIKeyFZFUVTQNKVZEGO-BWZBUEFSSA-N
MW202.25 g/mol
LogP1.03
Rot. Bonds2

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

(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (PubChem CID 68663178) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
PubChem CID68663178
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)O[C@@H]1C[C@H](C(=O)O)C[C@H]1O
InChIInChI=1S/C10H18O4/c1-10(2,3)14-8-5-6(9(12)13)4-7(8)11/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-,8-/m1/s1
InChIKeyFZFUVTQNKVZEGO-BWZBUEFSSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,4R)-3-hydroxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 66752720
(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 135389555
(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 160545951
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040
3-hydroxy-4-methylcyclohexane-1-carboxylic acid
CID 13413129
(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
3-hydroxy-4-iodocyclopentane-1-carboxylic acid
CID 146364335
3-methoxy-4-(2-methoxypropan-2-yl)cyclohexane-1-carboxylic acid
CID 140646844
(1R,3S,4S)-3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 146636334
3,5-bis[(2-bromo-2-methylpropanoyl)oxy]cyclohexane-1-carboxylic acid
CID 155786566

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The IUPAC name of (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid (CID 68663178) is (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is CC(C)(C)O[C@@H]1C[C@H](C(=O)O)C[C@H]1O.
What is the InChIKey of (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
The InChIKey is FZFUVTQNKVZEGO-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2,3)14-8-5-6(9(12)13)4-7(8)11/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7-,8-/m1/s1.
What are the key properties of (1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid?
(1R,3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 1.03, 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-4-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68663178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).