3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid

C13H16FNO3 — CID 117009424

IUPAC3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCCN1c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c14-10-2-1-3-11(8-10)15-6-7-18-9-12(15)4-5-13(16)17/h1-3,8,12H,4-7,9H2,(H,16,17)
InChIKeyNJAJRAHWYCCIHZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.90
Rot. Bonds4

About 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid

3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid (PubChem CID 117009424) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
PubChem CID117009424
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCCN1c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c14-10-2-1-3-11(8-10)15-6-7-18-9-12(15)4-5-13(16)17/h1-3,8,12H,4-7,9H2,(H,16,17)
InChIKeyNJAJRAHWYCCIHZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
CID 159818767
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
(4-phenylmorpholin-3-yl)methanol
CID 91802000
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
3-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 174551516
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid (CID 117009424) is 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid is O=C(O)CCC1COCCN1c1cccc(F)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid?
The InChIKey is NJAJRAHWYCCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-2-1-3-11(8-10)15-6-7-18-9-12(15)4-5-13(16)17/h1-3,8,12H,4-7,9H2,(H,16,17).
What are the key properties of 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid?
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid has a molecular weight of 253.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).