2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

C13H23FN2O4 — CID 151816747

IUPAC2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CCCC(F)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23FN2O4/c1-10(2)4-3-5-13(14,11(17)18)15-12(19)16-6-8-20-9-7-16/h10H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySBTICQWBEWKACV-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.60
Rot. Bonds6

About 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (PubChem CID 151816747) has the molecular formula C13H23FN2O4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
PubChem CID151816747
Molecular FormulaC13H23FN2O4
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CCCC(F)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H23FN2O4/c1-10(2)4-3-5-13(14,11(17)18)15-12(19)16-6-8-20-9-7-16/h10H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySBTICQWBEWKACV-UHFFFAOYSA-N
XLogP1.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 57535352
CID 57535352
CID 57535356
CID 57535356
CID 57535361
CID 57535361
CID 57535382
CID 57535382
CID 68821113
CID 68821113
CID 68821126
CID 68821126
CID 68821336
CID 68821336
CID 68822399
CID 68822399
CID 69719089
CID 69719089
CID 150077050
CID 150077050
CID 150152848
CID 150152848
CID 152251990
CID 152251990

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The IUPAC name of 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (CID 151816747) is 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.
What is the SMILES notation for 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The canonical SMILES for 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is CC(C)CCCC(F)(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The InChIKey is SBTICQWBEWKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4/c1-10(2)4-3-5-13(14,11(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 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid has a molecular weight of 290.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is sourced from PubChem (CID 151816747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).