2-[4-fluorooctanoyl(methyl)amino]acetic acid

C11H20FNO3 — CID 101279750

IUPAC2-[4-fluorooctanoyl(methyl)amino]acetic acid
SMILESCCCCC(F)CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20FNO3/c1-3-4-5-9(12)6-7-10(14)13(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyFLHLEBIEDTYVSV-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-fluorooctanoyl(methyl)amino]acetic acid

2-[4-fluorooctanoyl(methyl)amino]acetic acid (PubChem CID 101279750) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[4-fluorooctanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-fluorooctanoyl(methyl)amino]acetic acid
PubChem CID101279750
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name2-[4-fluorooctanoyl(methyl)amino]acetic acid
SMILESCCCCC(F)CCC(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20FNO3/c1-3-4-5-9(12)6-7-10(14)13(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyFLHLEBIEDTYVSV-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
2-[6-fluorodecanoyl(propyl)amino]acetic acid
CID 101279880
2-[8-fluorononanoyl(methyl)amino]acetic acid
CID 101279800
2-[ethyl(4-fluoroheptanoyl)amino]acetic acid
CID 101279726
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-[5-fluorodecanoyl(propyl)amino]acetic acid
CID 101279878
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
sodium 2-[4-fluorohexanoyl(methyl)amino]acetate
CID 101279683
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluorooctanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[4-fluorooctanoyl(methyl)amino]acetic acid (CID 101279750) is 2-[4-fluorooctanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[4-fluorooctanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[4-fluorooctanoyl(methyl)amino]acetic acid is CCCCC(F)CCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[4-fluorooctanoyl(methyl)amino]acetic acid?
The InChIKey is FLHLEBIEDTYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-3-4-5-9(12)6-7-10(14)13(2)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-fluorooctanoyl(methyl)amino]acetic acid?
2-[4-fluorooctanoyl(methyl)amino]acetic acid has a molecular weight of 233.28 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluorooctanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 101279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).