3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid

C13H16FNO3 — CID 82088132

IUPAC3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1F)N1CCOCC1
InChIInChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)9-12(13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17)
InChIKeyCYAXPRIBXDRJHS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid

3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 82088132) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID82088132
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1F)N1CCOCC1
InChIInChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)9-12(13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17)
InChIKeyCYAXPRIBXDRJHS-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241481
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 94693944
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
(2S)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
(2R)-3-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 100554006

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid (CID 82088132) is 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid is O=C(O)C(Cc1ccccc1F)N1CCOCC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is CYAXPRIBXDRJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-4-2-1-3-10(11)9-12(13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid?
3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid has a molecular weight of 253.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 82088132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).