2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid

C14H19NO4 — CID 83080487

IUPAC2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1OCCC1(C(=O)O)CCCN1
InChIInChI=1S/C14H19NO4/c1-18-11-5-2-3-6-12(11)19-10-8-14(13(16)17)7-4-9-15-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyFGMCYOLVFNNLLL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.67
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid

2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080487) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID83080487
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1OCCC1(C(=O)O)CCCN1
InChIInChI=1S/C14H19NO4/c1-18-11-5-2-3-6-12(11)19-10-8-14(13(16)17)7-4-9-15-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyFGMCYOLVFNNLLL-UHFFFAOYSA-N
XLogP1.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 70486714
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
N-(2-methoxyphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975064
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761825
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
1-[2-[1-(bromomethyl)cyclobutyl]ethoxy]-2-methoxybenzene
CID 66048220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid (CID 83080487) is 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid is COc1ccccc1OCCC1(C(=O)O)CCCN1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FGMCYOLVFNNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-5-2-3-6-12(11)19-10-8-14(13(16)17)7-4-9-15-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid?
2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).