cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate

C7H11O3- — CID 41097361

IUPACcis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/p-1/t5-,6+/m0/s1
InChIKeySNKAANHOVFZAMR-NTSWFWBYSA-M
MW143.16 g/mol
LogP-0.71
Rot. Bonds1

About cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate

cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate (PubChem CID 41097361) has the molecular formula C7H11O3- and a molecular weight of 143.16 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
PubChem CID41097361
Molecular FormulaC7H11O3-
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Namecis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@H]1O
InChIInChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/p-1/t5-,6+/m0/s1
InChIKeySNKAANHOVFZAMR-NTSWFWBYSA-M
XLogP-0.71
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-hydroxycyclohexane-1-carboxylate
CID 24837048
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 131089330
2-azaniumylcyclohexane-1-carboxylate
CID 53400661
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
bis(2-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604911
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
CID 36688289
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
CID 4745906
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cis-(1R,2S)-2-hydroxycyclopentane-1-carbohydrazide
CID 14687010

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate (CID 41097361) is cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate is O=C([O-])[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The InChIKey is SNKAANHOVFZAMR-NTSWFWBYSA-M. The full InChI is InChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/p-1/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate?
cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate has a molecular weight of 143.16 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 41097361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).