methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate

C8H14O3 — CID 131850108

IUPACmethyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](C)CC[C@H]1O
InChIInChI=1S/C8H14O3/c1-5-3-4-6(9)7(5)8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyOJXGQWMKYPAPQJ-QYNIQEEDSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds1

About methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate

methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate (PubChem CID 131850108) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
PubChem CID131850108
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1[C@H](C)CC[C@H]1O
InChIInChI=1S/C8H14O3/c1-5-3-4-6(9)7(5)8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyOJXGQWMKYPAPQJ-QYNIQEEDSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 3-ethyl-6-methylcyclohexane-1,2-dicarboxylate
CID 151130651
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
methyl 2-hydroxy-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 122550677
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
(1S,2R,3S)-2-methoxycarbonyl-3-methylcyclohexane-1-carboxylic acid
CID 10774396
methyl (2R,3S,4R)-2,4-dimethyloxane-3-carboxylate
CID 14417467
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl 2-hydroxy-5-methylcyclohexane-1-carboxylate
CID 130126120
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
methyl (1R,2S,5S)-2-(dibenzylamino)-5-methylcyclopentane-1-carboxylate
CID 11256214
dimethyl 3-hydroxytetracyclo[5.4.1.02,6.08,11]dodecane-9,10-dicarboxylate
CID 139997119
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate (CID 131850108) is methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate is COC(=O)[C@H]1[C@H](C)CC[C@H]1O.
What is the InChIKey of methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate?
The InChIKey is OJXGQWMKYPAPQJ-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-4-6(9)7(5)8(10)11-2/h5-7,9H,3-4H2,1-2H3/t5-,6-,7+/m1/s1.
What are the key properties of methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate?
methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 131850108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).