3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid

C8H11BrN2O3 — CID 19610126

IUPAC3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(Br)C2=O)C1
InChIInChI=1S/C8H11BrN2O3/c9-6-1-2-11(7(6)12)5-3-10(4-5)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyALGYURKECWGFHH-UHFFFAOYSA-N
MW263.09 g/mol
LogP0.34
Rot. Bonds1

About 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid

3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid (PubChem CID 19610126) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid
PubChem CID19610126
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(Br)C2=O)C1
InChIInChI=1S/C8H11BrN2O3/c9-6-1-2-11(7(6)12)5-3-10(4-5)8(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyALGYURKECWGFHH-UHFFFAOYSA-N
XLogP0.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-cyclobutylpyrrolidin-2-one
CID 63788586
tert-butyl (3R)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430292
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
3-bromo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-2-one
CID 58430301
4-bromo-3-oxopiperidine-1-carboxylic acid;hydrobromide
CID 69158545
3-bromo-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-2-one
CID 65472628
5-(3-bromo-2-oxopyrrolidin-1-yl)azepan-2-one
CID 131169180
1-(1-carboxyazetidin-3-yl)-2-oxopyridine-4-carboxylic acid
CID 142605828
3-(3-bromo-2-oxopyrrolidin-1-yl)-1-methylpyrrolidin-2-one
CID 106254149
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-(3-bromo-2-oxopyrrolidin-1-yl)benzoic acid
CID 21076113
3-(4-ethynylpiperidin-1-yl)azetidine-1-carboxylic acid
CID 155212242

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid (CID 19610126) is 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(N2CCC(Br)C2=O)C1.
What is the InChIKey of 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid?
The InChIKey is ALGYURKECWGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c9-6-1-2-11(7(6)12)5-3-10(4-5)8(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid?
3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid has a molecular weight of 263.09 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 19610126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).