2-[8-fluorononanoyl(methyl)amino]acetic acid

C12H22FNO3 — CID 101279800

IUPAC2-[8-fluorononanoyl(methyl)amino]acetic acid
SMILESCC(F)CCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H22FNO3/c1-10(13)7-5-3-4-6-8-11(15)14(2)9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeySRYKWPZNYAGNKF-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.23
Rot. Bonds9

About 2-[8-fluorononanoyl(methyl)amino]acetic acid

2-[8-fluorononanoyl(methyl)amino]acetic acid (PubChem CID 101279800) has the molecular formula C12H22FNO3 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-[8-fluorononanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[8-fluorononanoyl(methyl)amino]acetic acid
PubChem CID101279800
Molecular FormulaC12H22FNO3
Molecular Weight247.31 g/mol
Exact Mass247.16
IUPAC Name2-[8-fluorononanoyl(methyl)amino]acetic acid
SMILESCC(F)CCCCCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C12H22FNO3/c1-10(13)7-5-3-4-6-8-11(15)14(2)9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeySRYKWPZNYAGNKF-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.23
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-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-[4-fluorooctanoyl(methyl)amino]acetic acid
CID 101279750
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746
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
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]acetic acid
CID 103205785

Frequently Asked Questions

What is the IUPAC name of 2-[8-fluorononanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[8-fluorononanoyl(methyl)amino]acetic acid (CID 101279800) is 2-[8-fluorononanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[8-fluorononanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[8-fluorononanoyl(methyl)amino]acetic acid is CC(F)CCCCCCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[8-fluorononanoyl(methyl)amino]acetic acid?
The InChIKey is SRYKWPZNYAGNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO3/c1-10(13)7-5-3-4-6-8-11(15)14(2)9-12(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[8-fluorononanoyl(methyl)amino]acetic acid?
2-[8-fluorononanoyl(methyl)amino]acetic acid has a molecular weight of 247.31 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluorononanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 101279800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).