(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride

C12H16ClNO2 — CID 57367734

IUPAC(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,14,15);1H/t11-;/m0./s1
InChIKeyZNWHWMURQWRKED-MERQFXBCSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds3

About (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 57367734) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID57367734
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,14,15);1H/t11-;/m0./s1
InChIKeyZNWHWMURQWRKED-MERQFXBCSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride (CID 57367734) is (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is ZNWHWMURQWRKED-MERQFXBCSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 57367734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).