(2R)-2-bromo-4-methylpentanoic acid

C6H11BrO2 — CID 12697060

IUPAC(2R)-2-bromo-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Br)C(=O)O
InChIInChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyNNFDHJQLIFECSR-RXMQYKEDSA-N
MW195.06 g/mol
LogP1.88
Rot. Bonds3

About (2R)-2-bromo-4-methylpentanoic acid

(2R)-2-bromo-4-methylpentanoic acid (PubChem CID 12697060) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is (2R)-2-bromo-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-bromo-4-methylpentanoic acid
PubChem CID12697060
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name(2R)-2-bromo-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Br)C(=O)O
InChIInChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyNNFDHJQLIFECSR-RXMQYKEDSA-N
XLogP1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2-bromo-4-methylpentanoic acid?
The IUPAC name of (2R)-2-bromo-4-methylpentanoic acid (CID 12697060) is (2R)-2-bromo-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-bromo-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-bromo-4-methylpentanoic acid is CC(C)C[C@@H](Br)C(=O)O.
What is the InChIKey of (2R)-2-bromo-4-methylpentanoic acid?
The InChIKey is NNFDHJQLIFECSR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-bromo-4-methylpentanoic acid?
(2R)-2-bromo-4-methylpentanoic acid has a molecular weight of 195.06 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-4-methylpentanoic acid is sourced from PubChem (CID 12697060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).