2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid

C16H20FNO4 — CID 124692942

IUPAC2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1F
InChIInChI=1S/C16H20FNO4/c1-11(13-4-2-3-5-14(13)17)8-15(19)18-6-7-22-12(10-18)9-16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyQKGIQYRSPGUJGB-VXGBXAGGSA-N
MW309.34 g/mol
LogP2.02
Rot. Bonds5

About 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid (PubChem CID 124692942) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
PubChem CID124692942
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1F
InChIInChI=1S/C16H20FNO4/c1-11(13-4-2-3-5-14(13)17)8-15(19)18-6-7-22-12(10-18)9-16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-,12-/m1/s1
InChIKeyQKGIQYRSPGUJGB-VXGBXAGGSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
2-[4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248672
2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124692935
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152
(3S)-3-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124694280
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
CID 126794392
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid (CID 124692942) is 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid is C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1F.
What is the InChIKey of 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is QKGIQYRSPGUJGB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-11(13-4-2-3-5-14(13)17)8-15(19)18-6-7-22-12(10-18)9-16(20)21/h2-5,11-12H,6-10H2,1H3,(H,20,21)/t11-,12-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 309.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124692942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).