(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H12BrNO4 — CID 61151791

IUPAC(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccccc1Br
InChIInChI=1S/C12H12BrNO4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h1-4,7,10,15H,5-6H2,(H,17,18)/t7?,10-/m0/s1
InChIKeyIWMFDQLMPWORQM-MHPPCMCBSA-N
MW314.13 g/mol
LogP1.11
Rot. Bonds2

About (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61151791) has the molecular formula C12H12BrNO4 and a molecular weight of 314.13 g/mol. Its IUPAC name is (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61151791
Molecular FormulaC12H12BrNO4
Molecular Weight314.13 g/mol
Exact Mass312.99
IUPAC Name(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccccc1Br
InChIInChI=1S/C12H12BrNO4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h1-4,7,10,15H,5-6H2,(H,17,18)/t7?,10-/m0/s1
InChIKeyIWMFDQLMPWORQM-MHPPCMCBSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic 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

(2S,4R)-1-(5-amino-2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115297354
(2S,4R)-1-(2-bromo-5-iodobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114027432
(2S,4R)-4-hydroxy-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 63856754
4-hydroxy-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 16781804
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S)-1-[2-(difluoromethoxy)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153085
(2S,4R)-1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856209
1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43805416
(2S)-1-[(2,6-dibromophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107601792
(2S,4S)-4-hydroxy-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 104547992
1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60959099
(2S,4R)-4-hydroxy-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63857115

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 61151791) is (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1ccccc1Br.
What is the InChIKey of (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is IWMFDQLMPWORQM-MHPPCMCBSA-N. The full InChI is InChI=1S/C12H12BrNO4/c13-9-4-2-1-3-8(9)11(16)14-6-7(15)5-10(14)12(17)18/h1-4,7,10,15H,5-6H2,(H,17,18)/t7?,10-/m0/s1.
What are the key properties of (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 314.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).