1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid

C15H21NO3 — CID 3646921

IUPAC1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C(C)N1CCCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-19-14-9-5-4-7-12(14)11(2)16-10-6-8-13(16)15(17)18/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBMWFDRJXJUAAJX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds5

About 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid

1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 3646921) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID3646921
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1C(C)N1CCCC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-3-19-14-9-5-4-7-12(14)11(2)16-10-6-8-13(16)15(17)18/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBMWFDRJXJUAAJX-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3290695
1-[(2,4-dimethoxyphenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4018579
1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5173108
1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4029516
1-[(2,4-difluorophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4603741
1-[(2-ethoxyphenyl)-(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5196306
1-[(2,4-difluorophenyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4023858
1-[(2-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 5179597
1-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3921062
1-[(3,4-dichlorophenyl)-(2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5042523
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4020341
1-[(3,4-diethoxyphenyl)-phenylmethyl]pyrrolidine-2-carboxylic acid
CID 4029513

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid (CID 3646921) is 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid is CCOc1ccccc1C(C)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BMWFDRJXJUAAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-14-9-5-4-7-12(14)11(2)16-10-6-8-13(16)15(17)18/h4-5,7,9,11,13H,3,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid?
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3646921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).