(3S)-5-hydroxy-3-methylpentanoic acid

C6H12O3 — CID 55299498

IUPAC(3S)-5-hydroxy-3-methylpentanoic acid
SMILESC[C@@H](CCO)CC(=O)O
InChIInChI=1S/C6H12O3/c1-5(2-3-7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyMLYKGFBBFUYWHJ-YFKPBYRVSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds4

About (3S)-5-hydroxy-3-methylpentanoic acid

(3S)-5-hydroxy-3-methylpentanoic acid (PubChem CID 55299498) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S)-5-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(3S)-5-hydroxy-3-methylpentanoic acid
PubChem CID55299498
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S)-5-hydroxy-3-methylpentanoic acid
SMILESC[C@@H](CCO)CC(=O)O
InChIInChI=1S/C6H12O3/c1-5(2-3-7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyMLYKGFBBFUYWHJ-YFKPBYRVSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-hydroxy-3-methylpentanoic acid?
The IUPAC name of (3S)-5-hydroxy-3-methylpentanoic acid (CID 55299498) is (3S)-5-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for (3S)-5-hydroxy-3-methylpentanoic acid?
The canonical SMILES for (3S)-5-hydroxy-3-methylpentanoic acid is C[C@@H](CCO)CC(=O)O.
What is the InChIKey of (3S)-5-hydroxy-3-methylpentanoic acid?
The InChIKey is MLYKGFBBFUYWHJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(2-3-7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-5-hydroxy-3-methylpentanoic acid?
(3S)-5-hydroxy-3-methylpentanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 55299498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).