2-[6-fluorohexanoyl(methyl)amino]acetic acid

C9H16FNO3 — CID 101279688

IUPAC2-[6-fluorohexanoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCCCCF
InChIInChI=1S/C9H16FNO3/c1-11(7-9(13)14)8(12)5-3-2-4-6-10/h2-7H2,1H3,(H,13,14)
InChIKeyFKBCREXQAIZKBM-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.06
Rot. Bonds7

About 2-[6-fluorohexanoyl(methyl)amino]acetic acid

2-[6-fluorohexanoyl(methyl)amino]acetic acid (PubChem CID 101279688) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[6-fluorohexanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6-fluorohexanoyl(methyl)amino]acetic acid
PubChem CID101279688
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-[6-fluorohexanoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCCCCF
InChIInChI=1S/C9H16FNO3/c1-11(7-9(13)14)8(12)5-3-2-4-6-10/h2-7H2,1H3,(H,13,14)
InChIKeyFKBCREXQAIZKBM-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
2-[8-fluorononanoyl(methyl)amino]acetic acid
CID 101279800
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
8-fluorooctanoic acid
CID 9616
17-fluoroheptadecanoic acid
CID 13401115

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluorohexanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[6-fluorohexanoyl(methyl)amino]acetic acid (CID 101279688) is 2-[6-fluorohexanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[6-fluorohexanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[6-fluorohexanoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)CCCCCF.
What is the InChIKey of 2-[6-fluorohexanoyl(methyl)amino]acetic acid?
The InChIKey is FKBCREXQAIZKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-11(7-9(13)14)8(12)5-3-2-4-6-10/h2-7H2,1H3,(H,13,14).
What are the key properties of 2-[6-fluorohexanoyl(methyl)amino]acetic acid?
2-[6-fluorohexanoyl(methyl)amino]acetic acid has a molecular weight of 205.23 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluorohexanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 101279688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).