1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid

C14H18FNO3 — CID 63147720

IUPAC1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-14(13(17)18)6-7-16(10-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyZCKSPPNMAUTMPJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147720) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147720
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-14(13(17)18)6-7-16(10-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyZCKSPPNMAUTMPJ-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63147720) is 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZCKSPPNMAUTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(13(17)18)6-7-16(10-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).