2-amino-6-((18F)fluoromethyl)octanedioic acid

C9H16FNO4 — CID 89447652

IUPAC2-amino-6-((18F)fluoromethyl)octanedioic acid
SMILESNC(CCCC(C[18F])CC(=O)O)C(=O)O
InChIInChI=1S/C9H16FNO4/c10-5-6(4-8(12)13)2-1-3-7(11)9(14)15/h6-7H,1-5,11H2,(H,12,13)(H,14,15)/i10-1
InChIKeyDJVUUGYJDWDSGF-LMANFOLPSA-N
MW220.23 g/mol
LogP0.63
Rot. Bonds8

About 2-amino-6-((18F)fluoromethyl)octanedioic acid

2-amino-6-((18F)fluoromethyl)octanedioic acid (PubChem CID 89447652) has the molecular formula C9H16FNO4 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-6-((18F)fluoromethyl)octanedioic acid.

Molecular Properties

Compound Name2-amino-6-((18F)fluoromethyl)octanedioic acid
PubChem CID89447652
Molecular FormulaC9H16FNO4
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name2-amino-6-((18F)fluoromethyl)octanedioic acid
SMILESNC(CCCC(C[18F])CC(=O)O)C(=O)O
InChIInChI=1S/C9H16FNO4/c10-5-6(4-8(12)13)2-1-3-7(11)9(14)15/h6-7H,1-5,11H2,(H,12,13)(H,14,15)/i10-1
InChIKeyDJVUUGYJDWDSGF-LMANFOLPSA-N
XLogP0.63
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2R)-2-aminobutanedioic acid;(2R)-2,6-diaminohexanoic acid
CID 133109130
2-aminobutanedioic acid;bis(2,6-diaminohexanoic acid)
CID 138592337
(2S)-2-aminobutanedioic acid;2-aminooctanedioic acid
CID 161168741
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
disodium;2-aminohexanedioic acid;hydride
CID 174674537
2-amino-7-sulfanylheptanoic acid
CID 56957911
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
2,5-diaminopentanoic acid;3-hydroxybutanoic acid
CID 90459084

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-((18F)fluoromethyl)octanedioic acid?
The IUPAC name of 2-amino-6-((18F)fluoromethyl)octanedioic acid (CID 89447652) is 2-amino-6-((18F)fluoromethyl)octanedioic acid.
What is the SMILES notation for 2-amino-6-((18F)fluoromethyl)octanedioic acid?
The canonical SMILES for 2-amino-6-((18F)fluoromethyl)octanedioic acid is NC(CCCC(C[18F])CC(=O)O)C(=O)O.
What is the InChIKey of 2-amino-6-((18F)fluoromethyl)octanedioic acid?
The InChIKey is DJVUUGYJDWDSGF-LMANFOLPSA-N. The full InChI is InChI=1S/C9H16FNO4/c10-5-6(4-8(12)13)2-1-3-7(11)9(14)15/h6-7H,1-5,11H2,(H,12,13)(H,14,15)/i10-1.
What are the key properties of 2-amino-6-((18F)fluoromethyl)octanedioic acid?
2-amino-6-((18F)fluoromethyl)octanedioic acid has a molecular weight of 220.23 g/mol, XLogP of 0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-((18F)fluoromethyl)octanedioic acid is sourced from PubChem (CID 89447652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).