(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

C14H16ClNO4 — CID 78922094

IUPAC(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)c(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H16ClNO4/c1-9-4-5-10(15)12(7-9)20-8-13(17)16-6-2-3-11(16)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyDGXUBWVUIOTXMS-LLVKDONJSA-N
MW297.74 g/mol
LogP2.10
Rot. Bonds4

About (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922094) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922094
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(Cl)c(OCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H16ClNO4/c1-9-4-5-10(15)12(7-9)20-8-13(17)16-6-2-3-11(16)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyDGXUBWVUIOTXMS-LLVKDONJSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
1-[2-(2-chloro-5-methylphenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171340
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
(3S)-1-[2-(2-chloro-5-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 78923375
(2S)-1-[2-(2-chloro-5-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365437
1-[2-(2-bromo-4-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43092076
(2S)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 66264562
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
(2R,3R)-1-[2-(2,5-dichlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115150
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 78922094) is (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is Cc1ccc(Cl)c(OCC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DGXUBWVUIOTXMS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-9-4-5-10(15)12(7-9)20-8-13(17)16-6-2-3-11(16)14(18)19/h4-5,7,11H,2-3,6,8H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.10, 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-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).