(2R,3R)-2,3-dibromobutanedioic acid

C4H4Br2O4 — CID 3246557

IUPAC(2R,3R)-2,3-dibromobutanedioic acid
SMILESO=C(O)[C@@H](Br)[C@H](Br)C(=O)O
InChIInChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChIKeyFJWGRXKOBIVTFA-LWMBPPNESA-N
MW275.88 g/mol
LogP0.68
Rot. Bonds3

About (2R,3R)-2,3-dibromobutanedioic acid

(2R,3R)-2,3-dibromobutanedioic acid (PubChem CID 3246557) has the molecular formula C4H4Br2O4 and a molecular weight of 275.88 g/mol. Its IUPAC name is (2R,3R)-2,3-dibromobutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dibromobutanedioic acid
PubChem CID3246557
Molecular FormulaC4H4Br2O4
Molecular Weight275.88 g/mol
Exact Mass273.85
IUPAC Name(2R,3R)-2,3-dibromobutanedioic acid
SMILESO=C(O)[C@@H](Br)[C@H](Br)C(=O)O
InChIInChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
InChIKeyFJWGRXKOBIVTFA-LWMBPPNESA-N
XLogP0.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.88
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-2,3-dibromobutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dibromoacetic acid;silver
CID 138115790
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
CID 130641963
(2S)-2-bromo-2-iodoacetic acid
CID 95858521
(2S)-2-bromopropanoic acid
CID 642232
3,4-dibromohexane-2,5-dione
CID 87317184
(2S,3R)-2-bromo-3-methoxybutanedioic acid
CID 134993226
alumane;carboxy(trihydroxy)phosphanium
CID 174760708
(2S,3S)-2-bromo-3-hydroxyhexanoic acid
CID 131169369
barium(2+);2-bromopropanoic acid;hydride
CID 173389157
2-bromo-3-oxobutanedioic acid
CID 22997461
2-bromo-3-phenylbutanedioic acid
CID 18967008
2,3-dibromo-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 57001715

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dibromobutanedioic acid?
The IUPAC name of (2R,3R)-2,3-dibromobutanedioic acid (CID 3246557) is (2R,3R)-2,3-dibromobutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-dibromobutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-dibromobutanedioic acid is O=C(O)[C@@H](Br)[C@H](Br)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dibromobutanedioic acid?
The InChIKey is FJWGRXKOBIVTFA-LWMBPPNESA-N. The full InChI is InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)/t1-,2-/m0/s1.
What are the key properties of (2R,3R)-2,3-dibromobutanedioic acid?
(2R,3R)-2,3-dibromobutanedioic acid has a molecular weight of 275.88 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dibromobutanedioic acid is sourced from PubChem (CID 3246557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).