(2S,3S)-2-hydroxy-3-methylpentanoic acid

C6H12O3 — CID 854025

IUPAC(2S,3S)-2-hydroxy-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyRILPIWOPNGRASR-WHFBIAKZSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds3

About (2S,3S)-2-hydroxy-3-methylpentanoic acid

(2S,3S)-2-hydroxy-3-methylpentanoic acid (PubChem CID 854025) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S,3S)-2-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-hydroxy-3-methylpentanoic acid
PubChem CID854025
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S,3S)-2-hydroxy-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](O)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
InChIKeyRILPIWOPNGRASR-WHFBIAKZSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (2S,3S)-2-hydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-hydroxy-3-methylpentanoic acid (CID 854025) is (2S,3S)-2-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-hydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-hydroxy-3-methylpentanoic acid is CC[C@H](C)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-2-hydroxy-3-methylpentanoic acid?
The InChIKey is RILPIWOPNGRASR-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-hydroxy-3-methylpentanoic acid?
(2S,3S)-2-hydroxy-3-methylpentanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 854025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).