2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid

C17H22FNO4 — CID 69435266

IUPAC2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)[C@H](F)C(=O)N1CCOCC1
InChIInChI=1S/C17H22FNO4/c18-15(16(20)19-9-11-23-12-10-19)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,21,22)/t14?,15-/m0/s1
InChIKeyLHSIZOKESHHUOT-LOACHALJSA-N
MW323.36 g/mol
LogP1.91
Rot. Bonds7

About 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid

2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid (PubChem CID 69435266) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
PubChem CID69435266
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(O)C(CCCc1ccccc1)[C@H](F)C(=O)N1CCOCC1
InChIInChI=1S/C17H22FNO4/c18-15(16(20)19-9-11-23-12-10-19)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,21,22)/t14?,15-/m0/s1
InChIKeyLHSIZOKESHHUOT-LOACHALJSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The IUPAC name of 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid (CID 69435266) is 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid.
What is the SMILES notation for 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The canonical SMILES for 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid is O=C(O)C(CCCc1ccccc1)[C@H](F)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The InChIKey is LHSIZOKESHHUOT-LOACHALJSA-N. The full InChI is InChI=1S/C17H22FNO4/c18-15(16(20)19-9-11-23-12-10-19)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,21,22)/t14?,15-/m0/s1.
What are the key properties of 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid has a molecular weight of 323.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 69435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).