methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate

C9H14O3 — CID 99564434

IUPACmethyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]2C[C@H]1[C@H](O)C2
InChIInChI=1S/C9H14O3/c1-12-9(11)7-3-5-2-6(7)8(10)4-5/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKeyQSRVENCBHBYUQC-LXGUWJNJSA-N
MW170.21 g/mol
LogP0.57
Rot. Bonds1

About methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate

methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 99564434) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
PubChem CID99564434
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]2C[C@H]1[C@H](O)C2
InChIInChI=1S/C9H14O3/c1-12-9(11)7-3-5-2-6(7)8(10)4-5/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKeyQSRVENCBHBYUQC-LXGUWJNJSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

methyl (2S,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylate
CID 2775644
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
methyl 5-(2-hydroxyacetyl)bicyclo[2.2.1]heptane-2-carboxylate;methyl 6-(2-hydroxyacetyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 159589038
(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
CID 130992166
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
methyl (1R,2S,4R)-4-hydroxybicyclo[4.1.0]heptane-2-carboxylate
CID 164831204
methyl (1S,2S,4R,6R)-6-(4-methylphenyl)sulfonyloxybicyclo[2.2.1]heptane-2-carboxylate
CID 11889227
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate (CID 99564434) is methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate is COC(=O)[C@@H]1C[C@@H]2C[C@H]1[C@H](O)C2.
What is the InChIKey of methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QSRVENCBHBYUQC-LXGUWJNJSA-N. The full InChI is InChI=1S/C9H14O3/c1-12-9(11)7-3-5-2-6(7)8(10)4-5/h5-8,10H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1.
What are the key properties of methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 170.21 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 (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 99564434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).