2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid

C15H15FN2O7 — CID 76742980

IUPAC2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2ccc(F)c(C(N)=O)c2)C1=O
InChIInChI=1S/C15H15FN2O7/c1-7(19)25-12(15(22)23)11-14(21)18(4-5-24-11)8-2-3-10(16)9(6-8)13(17)20/h2-3,6,11-12H,4-5H2,1H3,(H2,17,20)(H,22,23)
InChIKeyCVWWWIXNSNIDCL-UHFFFAOYSA-N
MW354.29 g/mol
LogP-0.33
Rot. Bonds5

About 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid

2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 76742980) has the molecular formula C15H15FN2O7 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
PubChem CID76742980
Molecular FormulaC15H15FN2O7
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2ccc(F)c(C(N)=O)c2)C1=O
InChIInChI=1S/C15H15FN2O7/c1-7(19)25-12(15(22)23)11-14(21)18(4-5-24-11)8-2-3-10(16)9(6-8)13(17)20/h2-3,6,11-12H,4-5H2,1H3,(H2,17,20)(H,22,23)
InChIKeyCVWWWIXNSNIDCL-UHFFFAOYSA-N
XLogP-0.33
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid (CID 76742980) is 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid is CC(=O)OC(C(=O)O)C1OCCN(c2ccc(F)c(C(N)=O)c2)C1=O.
What is the InChIKey of 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is CVWWWIXNSNIDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O7/c1-7(19)25-12(15(22)23)11-14(21)18(4-5-24-11)8-2-3-10(16)9(6-8)13(17)20/h2-3,6,11-12H,4-5H2,1H3,(H2,17,20)(H,22,23).
What are the key properties of 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid?
2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 354.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-[4-(3-carbamoyl-4-fluorophenyl)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 76742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).