2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid

C13H15FN2O4 — CID 66433243

IUPAC2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
SMILESNC(=O)c1cc(F)ccc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H15FN2O4/c14-8-1-2-11(10(5-8)13(15)19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7H2,(H2,15,19)(H,17,18)
InChIKeyPNEOAUMGYWCUJI-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.60
Rot. Bonds4

About 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid

2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid (PubChem CID 66433243) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
PubChem CID66433243
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
SMILESNC(=O)c1cc(F)ccc1N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H15FN2O4/c14-8-1-2-11(10(5-8)13(15)19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7H2,(H2,15,19)(H,17,18)
InChIKeyPNEOAUMGYWCUJI-UHFFFAOYSA-N
XLogP0.60
TPSA92.86 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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-carbamothioyl-4-fluorophenyl)morpholin-2-yl]acetate
CID 115534921
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
CID 66433060
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
2-[4-(2-chloro-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 66435372
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
4-(4-bromo-2-carbamoylphenyl)morpholine-2-carboxylic acid
CID 114890055
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
CID 66435959

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid (CID 66433243) is 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid is NC(=O)c1cc(F)ccc1N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid?
The InChIKey is PNEOAUMGYWCUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-8-1-2-11(10(5-8)13(15)19)16-3-4-20-9(7-16)6-12(17)18/h1-2,5,9H,3-4,6-7H2,(H2,15,19)(H,17,18).
What are the key properties of 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid?
2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).