(2S)-2-cyclohexyl-3-methylbutanoic acid

C11H20O2 — CID 69470858

IUPAC(2S)-2-cyclohexyl-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyYIPUQILUTXJEEA-JTQLQIEISA-N
MW184.28 g/mol
LogP2.92
Rot. Bonds3

About (2S)-2-cyclohexyl-3-methylbutanoic acid

(2S)-2-cyclohexyl-3-methylbutanoic acid (PubChem CID 69470858) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-3-methylbutanoic acid
PubChem CID69470858
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S)-2-cyclohexyl-3-methylbutanoic acid
SMILESCC(C)[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyYIPUQILUTXJEEA-JTQLQIEISA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
2,3-dicyclopentylbutanedioic acid
CID 141323160
3-amino-2-cyclopentylbutanoic acid
CID 131138399
2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
2,3-dicyclohexylbutanedioic acid;N-ethylethanamine
CID 174659539
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
2-cyclopentyl-3-hydroxypentanoic acid
CID 141134348
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
CID 174671046
2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-3-methylbutanoic acid?
The IUPAC name of (2S)-2-cyclohexyl-3-methylbutanoic acid (CID 69470858) is (2S)-2-cyclohexyl-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-cyclohexyl-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-cyclohexyl-3-methylbutanoic acid is CC(C)[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-3-methylbutanoic acid?
The InChIKey is YIPUQILUTXJEEA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-3-methylbutanoic acid?
(2S)-2-cyclohexyl-3-methylbutanoic acid has a molecular weight of 184.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-3-methylbutanoic acid is sourced from PubChem (CID 69470858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).