(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid

C13H16ClNO3 — CID 71914108

IUPAC(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCOc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-4-11(9-10)18-8-7-15-6-2-5-12(15)13(16)17/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m1/s1
InChIKeyCYKPXSNEVAVYMQ-GFCCVEGCSA-N
MW269.73 g/mol
LogP2.27
Rot. Bonds5

About (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 71914108) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID71914108
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCOc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-4-11(9-10)18-8-7-15-6-2-5-12(15)13(16)17/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m1/s1
InChIKeyCYKPXSNEVAVYMQ-GFCCVEGCSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 71914108) is (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1CCOc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CYKPXSNEVAVYMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-3-1-4-11(9-10)18-8-7-15-6-2-5-12(15)13(16)17/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71914108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).