2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid

C16H20FNO5 — CID 125119092

IUPAC2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
SMILESCC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C16H20FNO5/c1-2-13(23-14-6-4-3-5-12(14)17)16(21)18-7-8-22-11(10-18)9-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyCNEOGBMYRFSCOP-AAEUAGOBSA-N
MW325.34 g/mol
LogP1.69
Rot. Bonds6

About 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 125119092) has the molecular formula C16H20FNO5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
PubChem CID125119092
Molecular FormulaC16H20FNO5
Molecular Weight325.34 g/mol
Exact Mass325.13
IUPAC Name2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
SMILESCC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C16H20FNO5/c1-2-13(23-14-6-4-3-5-12(14)17)16(21)18-7-8-22-11(10-18)9-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyCNEOGBMYRFSCOP-AAEUAGOBSA-N
XLogP1.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
CID 126794392
2-[4-(2-methylsulfonyl-3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 119247693

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid (CID 125119092) is 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid is CC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is CNEOGBMYRFSCOP-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H20FNO5/c1-2-13(23-14-6-4-3-5-12(14)17)16(21)18-7-8-22-11(10-18)9-15(19)20/h3-6,11,13H,2,7-10H2,1H3,(H,19,20)/t11-,13-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 325.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125119092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).