(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid

C10H18O3 — CID 14660744

IUPAC(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,9-/m0/s1
InChIKeyWZDRUDXJLSLODW-CBAPKCEASA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid

(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid (PubChem CID 14660744) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
PubChem CID14660744
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
SMILESC[C@H](O)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,9-/m0/s1
InChIKeyWZDRUDXJLSLODW-CBAPKCEASA-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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Related Compounds

2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
2,3-dicyclopentylbutanedioic acid
CID 141323160
3-amino-2-cyclopentylbutanoic acid
CID 131138399
2-cyclopentyl-3-hydroxypentanoic acid
CID 141134348
2,3-dicyclohexylbutanedioic acid;N-ethylethanamine
CID 174659539
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
3-cyclododecylbutan-2-ol
CID 10444334
1-cycloheptylpropane-1,2-diol
CID 103452573
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
CID 174671046
4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid
CID 79413893

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid?
The IUPAC name of (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid (CID 14660744) is (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid is C[C@H](O)[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid?
The InChIKey is WZDRUDXJLSLODW-CBAPKCEASA-N. The full InChI is InChI=1S/C10H18O3/c1-7(11)9(10(12)13)8-5-3-2-4-6-8/h7-9,11H,2-6H2,1H3,(H,12,13)/t7-,9-/m0/s1.
What are the key properties of (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid?
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic 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 (2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid is sourced from PubChem (CID 14660744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).