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

C12H15NO2 — CID 728719

IUPAC(2S)-1-benzylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2/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)/t11-/m0/s1
InChIKeyXNROFTAJEGCDCT-NSHDSACASA-N
MW205.26 g/mol
LogP1.74
Rot. Bonds3

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

(2S)-1-benzylpyrrolidine-2-carboxylic acid (PubChem CID 728719) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-benzylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-benzylpyrrolidine-2-carboxylic acid
PubChem CID728719
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-1-benzylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2/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)/t11-/m0/s1
InChIKeyXNROFTAJEGCDCT-NSHDSACASA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.74
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?
The IUPAC name of (2S)-1-benzylpyrrolidine-2-carboxylic acid (CID 728719) is (2S)-1-benzylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-benzylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-benzylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzylpyrrolidine-2-carboxylic acid?
The InChIKey is XNROFTAJEGCDCT-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/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)/t11-/m0/s1.
What are the key properties of (2S)-1-benzylpyrrolidine-2-carboxylic acid?
(2S)-1-benzylpyrrolidine-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.74, 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 is sourced from PubChem (CID 728719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).