3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid

C15H20FNO3 — CID 63148336

IUPAC3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)C1
InChIInChI=1S/C15H20FNO3/c1-3-15(14(18)19)6-7-17(10-15)9-11-8-12(16)4-5-13(11)20-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyCMEYUNVBKAZXGV-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.52
Rot. Bonds5

About 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148336) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63148336
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)C1
InChIInChI=1S/C15H20FNO3/c1-3-15(14(18)19)6-7-17(10-15)9-11-8-12(16)4-5-13(11)20-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyCMEYUNVBKAZXGV-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 63148336) is 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)C1.
What is the InChIKey of 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CMEYUNVBKAZXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-15(14(18)19)6-7-17(10-15)9-11-8-12(16)4-5-13(11)20-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).