2-[2-fluorooctanoyl(propyl)amino]acetic acid

C13H24FNO3 — CID 101279774

IUPAC2-[2-fluorooctanoyl(propyl)amino]acetic acid
SMILESCCCCCCC(F)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24FNO3/c1-3-5-6-7-8-11(14)13(18)15(9-4-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyOQJFMGNPTXFZFU-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.62
Rot. Bonds10

About 2-[2-fluorooctanoyl(propyl)amino]acetic acid

2-[2-fluorooctanoyl(propyl)amino]acetic acid (PubChem CID 101279774) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[2-fluorooctanoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-fluorooctanoyl(propyl)amino]acetic acid
PubChem CID101279774
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Name2-[2-fluorooctanoyl(propyl)amino]acetic acid
SMILESCCCCCCC(F)C(=O)N(CCC)CC(=O)O
InChIInChI=1S/C13H24FNO3/c1-3-5-6-7-8-11(14)13(18)15(9-4-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyOQJFMGNPTXFZFU-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-fluorooctanoyl(propyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700
2-[5-fluorodecanoyl(propyl)amino]acetic acid
CID 101279878
2-[6-fluorodecanoyl(propyl)amino]acetic acid
CID 101279880
2-fluoroundecanoic acid
CID 24976101
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[(5-amino-2-methylpentanoyl)-propylamino]acetic acid
CID 115867094
2-[di(heptadecan-2-yl)amino]acetic acid
CID 87864248
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[fluoro(2-hexyldecyl)amino]acetic acid
CID 172615987
2-[octadec-2-ynoyl(propyl)amino]acetic acid
CID 139609690

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluorooctanoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-fluorooctanoyl(propyl)amino]acetic acid (CID 101279774) is 2-[2-fluorooctanoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-fluorooctanoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-fluorooctanoyl(propyl)amino]acetic acid is CCCCCCC(F)C(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[2-fluorooctanoyl(propyl)amino]acetic acid?
The InChIKey is OQJFMGNPTXFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-3-5-6-7-8-11(14)13(18)15(9-4-2)10-12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-fluorooctanoyl(propyl)amino]acetic acid?
2-[2-fluorooctanoyl(propyl)amino]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluorooctanoyl(propyl)amino]acetic acid is sourced from PubChem (CID 101279774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).