(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid

C10H18O3 — CID 99962556

IUPAC(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
SMILESC[C@@H](CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C10H18O3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,8?,9?/m0/s1
InChIKeyFNKRAWPOSXFFOV-UEJVZZJDSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid

(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid (PubChem CID 99962556) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
PubChem CID99962556
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
SMILESC[C@@H](CC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C10H18O3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,8?,9?/m0/s1
InChIKeyFNKRAWPOSXFFOV-UEJVZZJDSA-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 (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid (CID 99962556) is (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid is C[C@@H](CC1CCC(O)CC1)C(=O)O.
What is the InChIKey of (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid?
The InChIKey is FNKRAWPOSXFFOV-UEJVZZJDSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid?
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic 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 (2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 99962556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).