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

C6H12O3 — CID 10419223

IUPAC(2R,3S)-3-hydroxy-2-methylpentanoic acid
SMILESCC[C@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyNVIHALDXJWGLFD-UHNVWZDZSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds3

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

(2R,3S)-3-hydroxy-2-methylpentanoic acid (PubChem CID 10419223) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methylpentanoic acid
PubChem CID10419223
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2R,3S)-3-hydroxy-2-methylpentanoic acid
SMILESCC[C@H](O)[C@@H](C)C(=O)O
InChIInChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
InChIKeyNVIHALDXJWGLFD-UHNVWZDZSA-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 (2R,3S)-3-hydroxy-2-methylpentanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-methylpentanoic acid (CID 10419223) is (2R,3S)-3-hydroxy-2-methylpentanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methylpentanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methylpentanoic acid is CC[C@H](O)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methylpentanoic acid?
The InChIKey is NVIHALDXJWGLFD-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methylpentanoic acid?
(2R,3S)-3-hydroxy-2-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 (2R,3S)-3-hydroxy-2-methylpentanoic acid is sourced from PubChem (CID 10419223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).