(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid

C11H12ClNO2 — CID 70380425

IUPAC(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCC1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8?,10-/m0/s1
InChIKeyHIKVZBHYRHYBQJ-HTLJXXAVSA-N
MW225.67 g/mol
LogP1.87
Rot. Bonds2

About (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid

(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 70380425) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID70380425
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCC1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8?,10-/m0/s1
InChIKeyHIKVZBHYRHYBQJ-HTLJXXAVSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid (CID 70380425) is (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCCC1c1ccccc1Cl.
What is the InChIKey of (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HIKVZBHYRHYBQJ-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-4-2-1-3-7(9)8-5-6-13-10(8)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid?
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.67 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70380425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).