2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid

C5H7Br2NO4 — CID 54468694

IUPAC2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid
SMILESCC(Br)(Br)C(=O)NC(O)C(=O)O
InChIInChI=1S/C5H7Br2NO4/c1-5(6,7)4(12)8-2(9)3(10)11/h2,9H,1H3,(H,8,12)(H,10,11)
InChIKeyXGTVOEMGKWLDDP-UHFFFAOYSA-N
MW304.92 g/mol
LogP0.01
Rot. Bonds3

About 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid

2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid (PubChem CID 54468694) has the molecular formula C5H7Br2NO4 and a molecular weight of 304.92 g/mol. Its IUPAC name is 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid
PubChem CID54468694
Molecular FormulaC5H7Br2NO4
Molecular Weight304.92 g/mol
Exact Mass302.87
IUPAC Name2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid
SMILESCC(Br)(Br)C(=O)NC(O)C(=O)O
InChIInChI=1S/C5H7Br2NO4/c1-5(6,7)4(12)8-2(9)3(10)11/h2,9H,1H3,(H,8,12)(H,10,11)
InChIKeyXGTVOEMGKWLDDP-UHFFFAOYSA-N
XLogP0.01
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.92
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid (CID 54468694) is 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid is CC(Br)(Br)C(=O)NC(O)C(=O)O.
What is the InChIKey of 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid?
The InChIKey is XGTVOEMGKWLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2NO4/c1-5(6,7)4(12)8-2(9)3(10)11/h2,9H,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid?
2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid has a molecular weight of 304.92 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromopropanoylamino)-2-hydroxyacetic acid is sourced from PubChem (CID 54468694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).