2-amino-5-(18F)fluorooctanedioic acid

C8H14FNO4 — CID 89447645

IUPAC2-amino-5-(18F)fluorooctanedioic acid
SMILESNC(CCC([18F])CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c9-5(2-4-7(11)12)1-3-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/i9-1
InChIKeyVLTSTYOBOUEAKA-RVRFMXCPSA-N
MW206.20 g/mol
LogP0.38
Rot. Bonds7

About 2-amino-5-(18F)fluorooctanedioic acid

2-amino-5-(18F)fluorooctanedioic acid (PubChem CID 89447645) has the molecular formula C8H14FNO4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-amino-5-(18F)fluorooctanedioic acid.

Molecular Properties

Compound Name2-amino-5-(18F)fluorooctanedioic acid
PubChem CID89447645
Molecular FormulaC8H14FNO4
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name2-amino-5-(18F)fluorooctanedioic acid
SMILESNC(CCC([18F])CCC(=O)O)C(=O)O
InChIInChI=1S/C8H14FNO4/c9-5(2-4-7(11)12)1-3-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/i9-1
InChIKeyVLTSTYOBOUEAKA-RVRFMXCPSA-N
XLogP0.38
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
CID 87237505
CID 87237505
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
2-aminopentanedioic acid;ethene
CID 134284547

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(18F)fluorooctanedioic acid?
The IUPAC name of 2-amino-5-(18F)fluorooctanedioic acid (CID 89447645) is 2-amino-5-(18F)fluorooctanedioic acid.
What is the SMILES notation for 2-amino-5-(18F)fluorooctanedioic acid?
The canonical SMILES for 2-amino-5-(18F)fluorooctanedioic acid is NC(CCC([18F])CCC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-5-(18F)fluorooctanedioic acid?
The InChIKey is VLTSTYOBOUEAKA-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H14FNO4/c9-5(2-4-7(11)12)1-3-6(10)8(13)14/h5-6H,1-4,10H2,(H,11,12)(H,13,14)/i9-1.
What are the key properties of 2-amino-5-(18F)fluorooctanedioic acid?
2-amino-5-(18F)fluorooctanedioic acid has a molecular weight of 206.20 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(18F)fluorooctanedioic acid is sourced from PubChem (CID 89447645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).