(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid

C6H11BrO3 — CID 130641963

IUPAC(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)[C@@H](Br)C(=O)O
InChIInChI=1S/C6H11BrO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,1-2H3,(H,9,10)/t4-,5-/m1/s1
InChIKeyLUMQCXRHOLVNOD-RFZPGFLSSA-N
MW211.05 g/mol
LogP0.85
Rot. Bonds3

About (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid

(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid (PubChem CID 130641963) has the molecular formula C6H11BrO3 and a molecular weight of 211.05 g/mol. Its IUPAC name is (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
PubChem CID130641963
Molecular FormulaC6H11BrO3
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)[C@@H](Br)C(=O)O
InChIInChI=1S/C6H11BrO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,1-2H3,(H,9,10)/t4-,5-/m1/s1
InChIKeyLUMQCXRHOLVNOD-RFZPGFLSSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dibromobutanedioic acid
CID 3246557
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
(2S)-2-bromopropanoic acid
CID 642232
1,1-dibromo-3-methylbutan-2-ol
CID 15089986
(2S,3R)-2-bromo-3-methoxybutanedioic acid
CID 134993226
2-(1,2-dihydroxypropyl)propanedioic acid
CID 21198499
2-hydroxypropanoic acid
CID 87075455
(3R)-4-methylpentane-2,3-diol
CID 59911125
2,3-dibromo-4-ethyl-5-methylhexanoic acid
CID 123676893
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 94427029
(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid
CID 102001507
barium(2+);2-bromopropanoic acid;hydride
CID 173389157

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid (CID 130641963) is (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid is CC(C)[C@@H](O)[C@@H](Br)C(=O)O.
What is the InChIKey of (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid?
The InChIKey is LUMQCXRHOLVNOD-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11BrO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,1-2H3,(H,9,10)/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid?
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid has a molecular weight of 211.05 g/mol, XLogP of 0.85, 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-4-methylpentanoic acid is sourced from PubChem (CID 130641963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).