2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid

C16H23FN2O3 — CID 72934919

IUPAC2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N(C)CCN1CCCC1
InChIInChI=1S/C16H23FN2O3/c1-18(9-10-19-7-3-4-8-19)15(16(20)21)13-6-5-12(17)11-14(13)22-2/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyQRADIWMCSFBWGD-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.99
Rot. Bonds7

About 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid

2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid (PubChem CID 72934919) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
PubChem CID72934919
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
SMILESCOc1cc(F)ccc1C(C(=O)O)N(C)CCN1CCCC1
InChIInChI=1S/C16H23FN2O3/c1-18(9-10-19-7-3-4-8-19)15(16(20)21)13-6-5-12(17)11-14(13)22-2/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyQRADIWMCSFBWGD-UHFFFAOYSA-N
XLogP1.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid (CID 72934919) is 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid is COc1cc(F)ccc1C(C(=O)O)N(C)CCN1CCCC1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
The InChIKey is QRADIWMCSFBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-18(9-10-19-7-3-4-8-19)15(16(20)21)13-6-5-12(17)11-14(13)22-2/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid?
2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid has a molecular weight of 310.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 72934919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).