(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H15BrClNO2 — CID 71059357

IUPAC(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NCCC1Cc1ccccc1Br
InChIInChI=1S/C12H14BrNO2.ClH/c13-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12(15)16;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9?,11-;/m0./s1
InChIKeyLBWGNOZKJJDSQS-VLTGDTDDSA-N
MW320.61 g/mol
LogP2.48
Rot. Bonds3

About (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 71059357) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID71059357
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NCCC1Cc1ccccc1Br
InChIInChI=1S/C12H14BrNO2.ClH/c13-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12(15)16;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9?,11-;/m0./s1
InChIKeyLBWGNOZKJJDSQS-VLTGDTDDSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride 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)-3-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059351
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
CID 131873357
(2S)-3-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 67172570
3-[(2-bromophenyl)methyl]piperidin-4-amine
CID 84808609
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
N-[[(3S,4S)-4-[(2-bromophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 68837219
(2S,3R)-3-phenoxypyrrolidine-2-carboxylic acid
CID 54473999
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
CID 64907505
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 71059357) is (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1NCCC1Cc1ccccc1Br.
What is the InChIKey of (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is LBWGNOZKJJDSQS-VLTGDTDDSA-N. The full InChI is InChI=1S/C12H14BrNO2.ClH/c13-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12(15)16;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9?,11-;/m0./s1.
What are the key properties of (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 320.61 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71059357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).