(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one

C21H33FN2O3 — CID 68898134

IUPAC(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one
SMILESCC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H33FN2O3/c1-21(2,22)9-8-17(20(26)24-10-12-27-13-11-24)15-19(25)18(23)14-16-6-4-3-5-7-16/h3-7,17-19,25H,8-15,23H2,1-2H3/t17-,18+,19+/m1/s1
InChIKeyFKEUMXGMZWPTDO-QYZOEREBSA-N
MW380.50 g/mol
LogP2.31
Rot. Bonds9

About (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one

(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one (PubChem CID 68898134) has the molecular formula C21H33FN2O3 and a molecular weight of 380.50 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one
PubChem CID68898134
Molecular FormulaC21H33FN2O3
Molecular Weight380.50 g/mol
Exact Mass380.25
IUPAC Name(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one
SMILESCC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H33FN2O3/c1-21(2,22)9-8-17(20(26)24-10-12-27-13-11-24)15-19(25)18(23)14-16-6-4-3-5-7-16/h3-7,17-19,25H,8-15,23H2,1-2H3/t17-,18+,19+/m1/s1
InChIKeyFKEUMXGMZWPTDO-QYZOEREBSA-N
XLogP2.31
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one?
The IUPAC name of (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one (CID 68898134) is (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one.
What is the SMILES notation for (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one?
The canonical SMILES for (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one is CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one?
The InChIKey is FKEUMXGMZWPTDO-QYZOEREBSA-N. The full InChI is InChI=1S/C21H33FN2O3/c1-21(2,22)9-8-17(20(26)24-10-12-27-13-11-24)15-19(25)18(23)14-16-6-4-3-5-7-16/h3-7,17-19,25H,8-15,23H2,1-2H3/t17-,18+,19+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one?
(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one has a molecular weight of 380.50 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one is sourced from PubChem (CID 68898134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).