2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid

C17H22N2O6 — CID 125152075

IUPAC2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NC)ccc1OCC(=O)O
InChIInChI=1S/C17H22N2O6/c1-3-24-14-9-11(6-7-13(14)25-10-15(20)21)17(23)19-8-4-5-12(19)16(22)18-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyMVAUQTVQNYFNGJ-GFCCVEGCSA-N
MW350.37 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 125152075) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID125152075
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NC)ccc1OCC(=O)O
InChIInChI=1S/C17H22N2O6/c1-3-24-14-9-11(6-7-13(14)25-10-15(20)21)17(23)19-8-4-5-12(19)16(22)18-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyMVAUQTVQNYFNGJ-GFCCVEGCSA-N
XLogP0.90
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152460
2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119180840
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544385
(2R)-1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125148741
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650400
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650399

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 125152075) is 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid is CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)NC)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is MVAUQTVQNYFNGJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-3-24-14-9-11(6-7-13(14)25-10-15(20)21)17(23)19-8-4-5-12(19)16(22)18-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 125152075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).