2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid

C8H14O3 — CID 14644197

IUPAC2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid
SMILESO=C(O)C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H14O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyMRYQHECIEBLERJ-RQJHMYQMSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds2

About 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid

2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid (PubChem CID 14644197) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid
PubChem CID14644197
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid
SMILESO=C(O)C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H14O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyMRYQHECIEBLERJ-RQJHMYQMSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid (CID 14644197) is 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid is O=C(O)C[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid?
The InChIKey is MRYQHECIEBLERJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid?
2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid is sourced from PubChem (CID 14644197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).