(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid

C11H12BrNO2 — CID 131873357

IUPAC(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1c1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyPQZXYNTWPCQJHS-WCBMZHEXSA-N
MW270.13 g/mol
LogP1.98
Rot. Bonds2

About (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid

(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 131873357) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
PubChem CID131873357
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1c1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyPQZXYNTWPCQJHS-WCBMZHEXSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
3-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 79337694
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
[(2S,3S)-3-(2-bromophenyl)pyrrolidin-2-yl]methanol
CID 131001241
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059357
4-(2-bromobenzoyl)-3-methylpiperazine-2-carboxylic acid
CID 84607508
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
1-[(2S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 66694301
1-[(2S,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]ethanone
CID 90396352

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid (CID 131873357) is (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1NCC[C@H]1c1ccccc1Br.
What is the InChIKey of (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PQZXYNTWPCQJHS-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid?
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131873357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).