2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid

C14H18FNO4 — CID 66434266

IUPAC2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(F)cc1CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18FNO4/c1-19-13-3-2-11(15)6-10(13)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyVEQKXDAYIBYVMD-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid

2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid (PubChem CID 66434266) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
PubChem CID66434266
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(F)cc1CN1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18FNO4/c1-19-13-3-2-11(15)6-10(13)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyVEQKXDAYIBYVMD-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid (CID 66434266) is 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid is COc1ccc(F)cc1CN1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is VEQKXDAYIBYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-19-13-3-2-11(15)6-10(13)8-16-4-5-20-12(9-16)7-14(17)18/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 283.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).