cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid

C7H12O3 — CID 853570

IUPACcis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
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)/t5-,6+/m0/s1
InChIKeySNKAANHOVFZAMR-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds1

About cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid

cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 853570) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID853570
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid
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)/t5-,6+/m0/s1
InChIKeySNKAANHOVFZAMR-NTSWFWBYSA-N
XLogP0.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxycyclohexylacetic acid
CID 12702257
2-Hydroxycyclohexanecarboxylic acid
CID 271816
2-(Hydroxymethyl)cyclohexanone
CID 21406
trans-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268212
methyl (1S,2S)-2-hydroxycyclohexane-1-carboxylate
CID 642634
3-Hydroxy-4-methylhexanoic acid
CID 22471996
Ethyl 2-hydroxycyclohexane-1-carboxylate
CID 303691
rac-(1R,2R)-2-hydroxycyclohexane-1-carboxylic acid
CID 853571
(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid
CID 853572
Methyl 2-hydroxycyclohexanecarboxylate
CID 97999
(1S,2S)-2-Hydroxycyclohexane-1-carboxylic acid
CID 40478898
cis-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268214

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid (CID 853570) is cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is SNKAANHOVFZAMR-NTSWFWBYSA-N. 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)/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 853570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).