2-[3-fluorohexanoyl(methyl)amino]acetic acid

C9H16FNO3 — CID 101279682

IUPAC2-[3-fluorohexanoyl(methyl)amino]acetic acid
SMILESCCCC(F)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H16FNO3/c1-3-4-7(10)5-8(12)11(2)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyXHJOUGKWCNHNER-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.06
Rot. Bonds6

About 2-[3-fluorohexanoyl(methyl)amino]acetic acid

2-[3-fluorohexanoyl(methyl)amino]acetic acid (PubChem CID 101279682) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[3-fluorohexanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-fluorohexanoyl(methyl)amino]acetic acid
PubChem CID101279682
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-[3-fluorohexanoyl(methyl)amino]acetic acid
SMILESCCCC(F)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H16FNO3/c1-3-4-7(10)5-8(12)11(2)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyXHJOUGKWCNHNER-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluorohexanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[3-fluorohexanoyl(methyl)amino]acetic acid (CID 101279682) is 2-[3-fluorohexanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[3-fluorohexanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[3-fluorohexanoyl(methyl)amino]acetic acid is CCCC(F)CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[3-fluorohexanoyl(methyl)amino]acetic acid?
The InChIKey is XHJOUGKWCNHNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-3-4-7(10)5-8(12)11(2)6-9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-fluorohexanoyl(methyl)amino]acetic acid?
2-[3-fluorohexanoyl(methyl)amino]acetic acid has a molecular weight of 205.23 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluorohexanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 101279682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).