5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride

C11H15ClN2O2 — CID 54605167

IUPAC5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc(C2CCC(C(=O)O)N2)cc1
InChIInChI=1S/C11H14N2O2.ClH/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15;/h1-4,9-10,13H,5-6,12H2,(H,14,15);1H
InChIKeyPFOBZAFEOOIBNP-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.57
Rot. Bonds2

About 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride

5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 54605167) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID54605167
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc(C2CCC(C(=O)O)N2)cc1
InChIInChI=1S/C11H14N2O2.ClH/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15;/h1-4,9-10,13H,5-6,12H2,(H,14,15);1H
InChIKeyPFOBZAFEOOIBNP-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 54605167) is 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.Nc1ccc(C2CCC(C(=O)O)N2)cc1.
What is the InChIKey of 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is PFOBZAFEOOIBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15;/h1-4,9-10,13H,5-6,12H2,(H,14,15);1H.
What are the key properties of 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 54605167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).