(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

C9H14BrNO3 — CID 141282400

IUPAC(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCC(Br)[C@H]1C(=O)O
InChIInChI=1S/C9H14BrNO3/c1-5(2)8(12)11-4-3-6(10)7(11)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyBRUIPLCCPGKMMY-MLWJPKLSSA-N
MW264.12 g/mol
LogP1.09
Rot. Bonds2

About (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 141282400) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID141282400
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCC(Br)[C@H]1C(=O)O
InChIInChI=1S/C9H14BrNO3/c1-5(2)8(12)11-4-3-6(10)7(11)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)/t6?,7-/m0/s1
InChIKeyBRUIPLCCPGKMMY-MLWJPKLSSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (CID 141282400) is (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(=O)N1CCC(Br)[C@H]1C(=O)O.
What is the InChIKey of (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BRUIPLCCPGKMMY-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H14BrNO3/c1-5(2)8(12)11-4-3-6(10)7(11)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)/t6?,7-/m0/s1.
What are the key properties of (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 264.12 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141282400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).