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

C13H14ClNO4 — CID 78922074

IUPAC(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C13H14ClNO4/c14-9-4-1-2-6-11(9)19-8-12(16)15-7-3-5-10(15)13(17)18/h1-2,4,6,10H,3,5,7-8H2,(H,17,18)/t10-/m1/s1
InChIKeyYVPOAJGMLKDFFM-SNVBAGLBSA-N
MW283.71 g/mol
LogP1.79
Rot. Bonds4

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

(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922074) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922074
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C13H14ClNO4/c14-9-4-1-2-6-11(9)19-8-12(16)15-7-3-5-10(15)13(17)18/h1-2,4,6,10H,3,5,7-8H2,(H,17,18)/t10-/m1/s1
InChIKeyYVPOAJGMLKDFFM-SNVBAGLBSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069152
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(2R)-1-[2-(2-chloro-5-methylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922094
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
(2S)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 66264562
1-[2-(2-bromo-4-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43092076
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86917626
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 78922074) is (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)COc1ccccc1Cl.
What is the InChIKey of (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YVPOAJGMLKDFFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-4-1-2-6-11(9)19-8-12(16)15-7-3-5-10(15)13(17)18/h1-2,4,6,10H,3,5,7-8H2,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.79, 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-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).