2-hydroxy-3-(2-methylcyclohexyl)propanoic acid

C10H18O3 — CID 69123864

IUPAC2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
SMILESCC1CCCCC1CC(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyQFZAZSKJGMEIRP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid

2-hydroxy-3-(2-methylcyclohexyl)propanoic acid (PubChem CID 69123864) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
PubChem CID69123864
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxy-3-(2-methylcyclohexyl)propanoic acid
SMILESCC1CCCCC1CC(O)C(=O)O
InChIInChI=1S/C10H18O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyQFZAZSKJGMEIRP-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid (CID 69123864) is 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid is CC1CCCCC1CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid?
The InChIKey is QFZAZSKJGMEIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid?
2-hydroxy-3-(2-methylcyclohexyl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 69123864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).