2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid

C13H15FN2O4 — CID 119350129

IUPAC2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H15FN2O4/c14-10-7-9(13(19)15-8-12(17)18)1-2-11(10)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,19)(H,17,18)
InChIKeyBPRSDPFSKULYCY-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.48
Rot. Bonds4

About 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid

2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid (PubChem CID 119350129) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
PubChem CID119350129
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C13H15FN2O4/c14-10-7-9(13(19)15-8-12(17)18)1-2-11(10)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,19)(H,17,18)
InChIKeyBPRSDPFSKULYCY-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
CID 138998487
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
N-[(3S)-3-cyanothiolan-3-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 95614712
3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
CID 99697779
3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
CID 111334766
3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 138998358
3-fluoro-N-[[3-[4-(4-fluorophenyl)phenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-4-morpholin-4-ylbenzamide
CID 69034763
1-(3-fluoro-4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119356021

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid (CID 119350129) is 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid?
The InChIKey is BPRSDPFSKULYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-7-9(13(19)15-8-12(17)18)1-2-11(10)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid?
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid is sourced from PubChem (CID 119350129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).