2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid

C15H20FNO3 — CID 114834819

IUPAC2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
SMILESCC(Cc1cccc(F)c1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H20FNO3/c1-11(7-12-3-2-4-13(16)8-12)17-5-6-20-14(10-17)9-15(18)19/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyXEENIKUTMRBOLD-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid

2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid (PubChem CID 114834819) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
PubChem CID114834819
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
SMILESCC(Cc1cccc(F)c1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H20FNO3/c1-11(7-12-3-2-4-13(16)8-12)17-5-6-20-14(10-17)9-15(18)19/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyXEENIKUTMRBOLD-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
CID 98891679
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid (CID 114834819) is 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid is CC(Cc1cccc(F)c1)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid?
The InChIKey is XEENIKUTMRBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11(7-12-3-2-4-13(16)8-12)17-5-6-20-14(10-17)9-15(18)19/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid?
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid has a molecular weight of 281.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 114834819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).