1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

C11H12ClNO2 — CID 51063833

IUPAC1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyAOKQMHHJOMXSMH-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.25
Rot. Bonds2

About 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 51063833) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID51063833
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)
InChIKeyAOKQMHHJOMXSMH-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (CID 51063833) is 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AOKQMHHJOMXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-1-3-10(4-2-9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15).
What are the key properties of 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.68 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51063833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).