2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid

C17H22FNO4 — CID 119249056

IUPAC2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid
SMILESCC(CCc1cccc(F)c1)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H22FNO4/c1-12(5-6-13-3-2-4-14(18)9-13)17(22)19-7-8-23-15(11-19)10-16(20)21/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyFUXDDTGFIHMNKY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid

2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid (PubChem CID 119249056) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid
PubChem CID119249056
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid
SMILESCC(CCc1cccc(F)c1)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H22FNO4/c1-12(5-6-13-3-2-4-14(18)9-13)17(22)19-7-8-23-15(11-19)10-16(20)21/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyFUXDDTGFIHMNKY-UHFFFAOYSA-N
XLogP2.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid (CID 119249056) is 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid is CC(CCc1cccc(F)c1)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid?
The InChIKey is FUXDDTGFIHMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4/c1-12(5-6-13-3-2-4-14(18)9-13)17(22)19-7-8-23-15(11-19)10-16(20)21/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid?
2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid has a molecular weight of 323.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119249056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).