2-phenylpyrrolidine-3-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 53408541

IUPAC2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H
InChIKeyCLBXHARXLYHVIZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds2

About 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride

2-phenylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 53408541) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID53408541
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCNC1c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H
InChIKeyCLBXHARXLYHVIZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-phenylpropanoic acid
CID 686704
3-Acetamido-3-phenylpropanoic acid
CID 3480882
2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 2836868
(4S)-4-(Phenylmethyl)-L-proline
CID 10104399
DL-beta-Phenylalanine
CID 69189
3-(2,2-Dimethyl-propionylamino)-3-phenyl-propionic acid
CID 3677278
3-Acetamido-3-(4-fluorophenyl)propanoic acid
CID 3121001
3-Amino-3-(4-methylphenyl)propanoic acid
CID 2733680
(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 155369489
3-(2-Methylpropanoylamino)-3-phenylpropanoic acid
CID 4245294
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic Acid Hydrochloride
CID 2791631
4-Amino-4-phenylbutanoic acid
CID 13893

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride (CID 53408541) is 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCNC1c1ccccc1.
What is the InChIKey of 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is CLBXHARXLYHVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c13-11(14)9-6-7-12-10(9)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H.
What are the key properties of 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride?
2-phenylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 53408541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).