2-(1,2-dibromopropyl)propanedioic acid

C6H8Br2O4 — CID 129017895

IUPAC2-(1,2-dibromopropyl)propanedioic acid
SMILESCC(Br)C(Br)C(C(=O)O)C(=O)O
InChIInChI=1S/C6H8Br2O4/c1-2(7)4(8)3(5(9)10)6(11)12/h2-4H,1H3,(H,9,10)(H,11,12)
InChIKeyLYXOZUYLDBESCR-UHFFFAOYSA-N
MW303.93 g/mol
LogP1.32
Rot. Bonds4

About 2-(1,2-dibromopropyl)propanedioic acid

2-(1,2-dibromopropyl)propanedioic acid (PubChem CID 129017895) has the molecular formula C6H8Br2O4 and a molecular weight of 303.93 g/mol. Its IUPAC name is 2-(1,2-dibromopropyl)propanedioic acid.

Molecular Properties

Compound Name2-(1,2-dibromopropyl)propanedioic acid
PubChem CID129017895
Molecular FormulaC6H8Br2O4
Molecular Weight303.93 g/mol
Exact Mass301.88
IUPAC Name2-(1,2-dibromopropyl)propanedioic acid
SMILESCC(Br)C(Br)C(C(=O)O)C(=O)O
InChIInChI=1S/C6H8Br2O4/c1-2(7)4(8)3(5(9)10)6(11)12/h2-4H,1H3,(H,9,10)(H,11,12)
InChIKeyLYXOZUYLDBESCR-UHFFFAOYSA-N
XLogP1.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.93
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromopropanoic acid
CID 642232
barium(2+);2-bromopropanoic acid;hydride
CID 173389157
CID 129137181
CID 129137181
2-bromopropanoic acid;methoxymethane
CID 159963674
2-methylpropanoic acid
CID 173073412
2-(1,2-dihydroxypropyl)propanedioic acid
CID 21198499
azanide;carbanide;platinum(2+);2-propan-2-ylpropanedioic acid
CID 147280174
CID 158639936
CID 158639936
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
cerium;tris(2-methylpropanoic acid)
CID 153360547
CID 161404788
CID 161404788

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dibromopropyl)propanedioic acid?
The IUPAC name of 2-(1,2-dibromopropyl)propanedioic acid (CID 129017895) is 2-(1,2-dibromopropyl)propanedioic acid.
What is the SMILES notation for 2-(1,2-dibromopropyl)propanedioic acid?
The canonical SMILES for 2-(1,2-dibromopropyl)propanedioic acid is CC(Br)C(Br)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(1,2-dibromopropyl)propanedioic acid?
The InChIKey is LYXOZUYLDBESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2O4/c1-2(7)4(8)3(5(9)10)6(11)12/h2-4H,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1,2-dibromopropyl)propanedioic acid?
2-(1,2-dibromopropyl)propanedioic acid has a molecular weight of 303.93 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dibromopropyl)propanedioic acid is sourced from PubChem (CID 129017895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).