(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide

C15H22FN2O2+ — CID 9249008

IUPAC(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
SMILESC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H](C)O1
InChIInChI=1S/C15H21FN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/p+1/t10-,11+,12-/m0/s1
InChIKeyCVXSPKMSUZLNGL-TUAOUCFPSA-O
MW281.35 g/mol
LogP0.84
Rot. Bonds3

About (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide

(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 9249008) has the molecular formula C15H22FN2O2+ and a molecular weight of 281.35 g/mol. Its IUPAC name is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
PubChem CID9249008
Molecular FormulaC15H22FN2O2+
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
SMILESC[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H](C)O1
InChIInChI=1S/C15H21FN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/p+1/t10-,11+,12-/m0/s1
InChIKeyCVXSPKMSUZLNGL-TUAOUCFPSA-O
XLogP0.84
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275850
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
CID 9249004
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9248974
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356678
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 8933608
(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)propanamide
CID 9442654
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
(2S)-N-(5-chloro-2-methylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9249124
(2R)-N-(2-bromo-4-methylphenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9249116
(2R)-N-(3-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide (CID 9249008) is (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide is C[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is CVXSPKMSUZLNGL-TUAOUCFPSA-O. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/p+1/t10-,11+,12-/m0/s1.
What are the key properties of (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide?
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 281.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9249008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).