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

C6H11BrO3 — CID 134916857

IUPAC(2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid
SMILESCC[C@@H](O)[C@@](C)(Br)C(=O)O
InChIInChI=1S/C6H11BrO3/c1-3-4(8)6(2,7)5(9)10/h4,8H,3H2,1-2H3,(H,9,10)/t4-,6-/m1/s1
InChIKeyPZMNIWTWDBQLFR-INEUFUBQSA-N
MW211.05 g/mol
LogP1.00
Rot. Bonds3

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

(2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid (PubChem CID 134916857) has the molecular formula C6H11BrO3 and a molecular weight of 211.05 g/mol. Its IUPAC name is (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid
PubChem CID134916857
Molecular FormulaC6H11BrO3
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name(2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid
SMILESCC[C@@H](O)[C@@](C)(Br)C(=O)O
InChIInChI=1S/C6H11BrO3/c1-3-4(8)6(2,7)5(9)10/h4,8H,3H2,1-2H3,(H,9,10)/t4-,6-/m1/s1
InChIKeyPZMNIWTWDBQLFR-INEUFUBQSA-N
XLogP1.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid?
The IUPAC name of (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid (CID 134916857) is (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid.
What is the SMILES notation for (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid?
The canonical SMILES for (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid is CC[C@@H](O)[C@@](C)(Br)C(=O)O.
What is the InChIKey of (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid?
The InChIKey is PZMNIWTWDBQLFR-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11BrO3/c1-3-4(8)6(2,7)5(9)10/h4,8H,3H2,1-2H3,(H,9,10)/t4-,6-/m1/s1.
What are the key properties of (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid?
(2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid has a molecular weight of 211.05 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-bromo-3-hydroxy-2-methylpentanoic acid is sourced from PubChem (CID 134916857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).