cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid

C7H12O3 — CID 13413125

IUPACcis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyJBZDHFKPEDWWJC-RITPCOANSA-N
MW144.17 g/mol
LogP0.62
Rot. Bonds1

About cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid

cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid (PubChem CID 13413125) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid
PubChem CID13413125
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyJBZDHFKPEDWWJC-RITPCOANSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid (CID 13413125) is cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is JBZDHFKPEDWWJC-RITPCOANSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid?
cis-(1R,3S)-3-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-(1R,3S)-3-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 13413125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).