3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

C13H23FN2O4 — CID 150152848

IUPAC3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCCCCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23FN2O4/c1-3-4-5-10(14)13(2,11(17)18)15-12(19)16-6-8-20-9-7-16/h10H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFFPPCHVYNLPWTO-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.40
Rot. Bonds6

About 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (PubChem CID 150152848) has the molecular formula C13H23FN2O4 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
PubChem CID150152848
Molecular FormulaC13H23FN2O4
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCCCCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23FN2O4/c1-3-4-5-10(14)13(2,11(17)18)15-12(19)16-6-8-20-9-7-16/h10H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFFPPCHVYNLPWTO-UHFFFAOYSA-N
XLogP1.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The IUPAC name of 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (CID 150152848) is 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.
What is the SMILES notation for 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The canonical SMILES for 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is CCCCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The InChIKey is FFPPCHVYNLPWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4/c1-3-4-5-10(14)13(2,11(17)18)15-12(19)16-6-8-20-9-7-16/h10H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid has a molecular weight of 290.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is sourced from PubChem (CID 150152848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).