3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid

C15H21NO3 — CID 83982038

IUPAC3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
SMILESCCOc1ccc(N2CCC(CCC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-14-6-4-13(5-7-14)16-10-9-12(11-16)3-8-15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyRFBCSFJLZMQVPO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds6

About 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid

3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 83982038) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
PubChem CID83982038
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
SMILESCCOc1ccc(N2CCC(CCC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-2-19-14-6-4-13(5-7-14)16-10-9-12(11-16)3-8-15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyRFBCSFJLZMQVPO-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051
3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981305
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
CID 83982069
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid (CID 83982038) is 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid is CCOc1ccc(N2CCC(CCC(=O)O)C2)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is RFBCSFJLZMQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-14-6-4-13(5-7-14)16-10-9-12(11-16)3-8-15(17)18/h4-7,12H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 83982038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).