2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid

C19H21NO5S — CID 125152460

IUPAC2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-2-24-16-11-13(7-8-15(16)25-12-18(21)22)19(23)20-9-3-5-14(20)17-6-4-10-26-17/h4,6-8,10-11,14H,2-3,5,9,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyORLZBDBCFJPDNW-CQSZACIVSA-N
MW375.45 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 125152460) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID125152460
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-2-24-16-11-13(7-8-15(16)25-12-18(21)22)19(23)20-9-3-5-14(20)17-6-4-10-26-17/h4,6-8,10-11,14H,2-3,5,9,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyORLZBDBCFJPDNW-CQSZACIVSA-N
XLogP3.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119180840
[3-methoxy-4-(3-methylbutoxy)phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 112767543
2-[2-ethoxy-4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119182696
2-[2-ethoxy-4-[(2R)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 125152075
2-[2-ethoxy-4-[2-(methylcarbamoyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 120550261
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26189014
2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide
CID 43045600
4-ethoxy-N-[3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55349589
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
methyl 3-bromo-4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzoate
CID 46548091
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 125152460) is 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid is CCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is ORLZBDBCFJPDNW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-2-24-16-11-13(7-8-15(16)25-12-18(21)22)19(23)20-9-3-5-14(20)17-6-4-10-26-17/h4,6-8,10-11,14H,2-3,5,9,12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 375.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 125152460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).