1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

C15H21NO3 — CID 65066703

IUPAC1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCOc1ccc(C(C)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-3-19-14-6-4-12(5-7-14)11(2)16-9-8-13(10-16)15(17)18/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyQNFUMXXVKRKMRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds5

About 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65066703) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65066703
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCCOc1ccc(C(C)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-3-19-14-6-4-12(5-7-14)11(2)16-9-8-13(10-16)15(17)18/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyQNFUMXXVKRKMRC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 65056333
1-[(3,5-dimethylphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3878307
1-[(4-ethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3572027
1-[(3,5-dimethylphenyl)-(4-ethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3932072
1-[1-(4-ethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064258
1-[1-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066170
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
CID 65054052
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
1-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxylic acid
CID 119907237
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066376

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 65066703) is 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is CCOc1ccc(C(C)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QNFUMXXVKRKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-14-6-4-12(5-7-14)11(2)16-9-8-13(10-16)15(17)18/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).