4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

C11H13BrClNO2 — CID 53398064

IUPAC4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H
InChIKeyRONOJNNUHUBSJT-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride

4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 53398064) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID53398064
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNCC1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H
InChIKeyRONOJNNUHUBSJT-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromophenyl)pyrrolidine-3-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

(3R,4S)-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;4-(3-bromophenyl)pyrrolidine-3-carboxylic acid
CID 68969877
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398339
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 134162621
4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 130922382
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129494056

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 53398064) is 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CNCC1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is RONOJNNUHUBSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H.
What are the key properties of 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 306.59 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).