2-[6-fluorodecanoyl(propyl)amino]acetic acid

C15H28FNO3 — CID 101279880

IUPAC2-[6-fluorodecanoyl(propyl)amino]acetic acid
SMILESCCCCC(F)CCCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C15H28FNO3/c1-3-5-8-13(16)9-6-7-10-14(18)17(11-4-2)12-15(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKWABQKLRWIAFFW-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.40
Rot. Bonds12

About 2-[6-fluorodecanoyl(propyl)amino]acetic acid

2-[6-fluorodecanoyl(propyl)amino]acetic acid (PubChem CID 101279880) has the molecular formula C15H28FNO3 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[6-fluorodecanoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[6-fluorodecanoyl(propyl)amino]acetic acid
PubChem CID101279880
Molecular FormulaC15H28FNO3
Molecular Weight289.39 g/mol
Exact Mass289.21
IUPAC Name2-[6-fluorodecanoyl(propyl)amino]acetic acid
SMILESCCCCC(F)CCCCC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C15H28FNO3/c1-3-5-8-13(16)9-6-7-10-14(18)17(11-4-2)12-15(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKWABQKLRWIAFFW-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.40
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-[5-fluorodecanoyl(propyl)amino]acetic acid
CID 101279878
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[octadecanoyl(pentyl)amino]acetic acid
CID 175340865
2-[butyl(octadecanoyl)amino]acetic acid
CID 175340712
2-[hexadecyl(nonanoyl)amino]acetic acid
CID 138918698
2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700
2-[4-fluorooctanoyl(methyl)amino]acetic acid
CID 101279750
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
2-[2-fluorooctanoyl(propyl)amino]acetic acid
CID 101279774
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
2-[ethyl(4-fluoroheptanoyl)amino]acetic acid
CID 101279726
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluorodecanoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[6-fluorodecanoyl(propyl)amino]acetic acid (CID 101279880) is 2-[6-fluorodecanoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[6-fluorodecanoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[6-fluorodecanoyl(propyl)amino]acetic acid is CCCCC(F)CCCCC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[6-fluorodecanoyl(propyl)amino]acetic acid?
The InChIKey is KWABQKLRWIAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO3/c1-3-5-8-13(16)9-6-7-10-14(18)17(11-4-2)12-15(19)20/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-fluorodecanoyl(propyl)amino]acetic acid?
2-[6-fluorodecanoyl(propyl)amino]acetic acid has a molecular weight of 289.39 g/mol, XLogP of 3.40, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluorodecanoyl(propyl)amino]acetic acid is sourced from PubChem (CID 101279880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).