(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

C14H17NO4 — CID 78922381

IUPAC(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyDYDIXOZNZAZXIH-LLVKDONJSA-N
MW263.29 g/mol
LogP1.45
Rot. Bonds4

About (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922381) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922381
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyDYDIXOZNZAZXIH-LLVKDONJSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 78922381) is (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is Cc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DYDIXOZNZAZXIH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-5-2-3-7-12(10)19-9-13(16)15-8-4-6-11(15)14(17)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).