2-amino-4-tritiooctanedioic acid

C8H15NO4 — CID 89447650

IUPAC2-amino-4-tritiooctanedioic acid
SMILES[3H]C(CCCC(=O)O)CC(N)C(=O)O
InChIInChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/i2T
InChIKeyYOFPFYYTUIARDI-FUPOQFPWSA-N
MW191.22 g/mol
LogP0.43
Rot. Bonds7

About 2-amino-4-tritiooctanedioic acid

2-amino-4-tritiooctanedioic acid (PubChem CID 89447650) has the molecular formula C8H15NO4 and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-amino-4-tritiooctanedioic acid.

Molecular Properties

Compound Name2-amino-4-tritiooctanedioic acid
PubChem CID89447650
Molecular FormulaC8H15NO4
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-amino-4-tritiooctanedioic acid
SMILES[3H]C(CCCC(=O)O)CC(N)C(=O)O
InChIInChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/i2T
InChIKeyYOFPFYYTUIARDI-FUPOQFPWSA-N
XLogP0.43
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;2-aminohexanedioic acid;hydride
CID 174674537
bis(4-aminobutanoic acid);2,6-diaminohexanoic acid
CID 174697274
2-aminooctanedioic acid;2-aminopropanedioic acid
CID 159597663
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminobutanedioic acid;2-aminooctanedioic acid
CID 161168741
bis(butanedioic acid);2,6-diaminohexanoic acid
CID 87800370
2-aminopentanedioic acid;2,5-diaminopentanoic acid
CID 22007993
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tritiooctanedioic acid?
The IUPAC name of 2-amino-4-tritiooctanedioic acid (CID 89447650) is 2-amino-4-tritiooctanedioic acid.
What is the SMILES notation for 2-amino-4-tritiooctanedioic acid?
The canonical SMILES for 2-amino-4-tritiooctanedioic acid is [3H]C(CCCC(=O)O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-tritiooctanedioic acid?
The InChIKey is YOFPFYYTUIARDI-FUPOQFPWSA-N. The full InChI is InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/i2T.
What are the key properties of 2-amino-4-tritiooctanedioic acid?
2-amino-4-tritiooctanedioic acid has a molecular weight of 191.22 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tritiooctanedioic acid is sourced from PubChem (CID 89447650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).