diazanium;2-aminopentanedioate

C5H15N3O4 — CID 22497325

IUPACdiazanium;2-aminopentanedioate
SMILESNC(CCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C5H9NO4.2H3N/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3
InChIKeyHCGIOFQTKHOCPM-UHFFFAOYSA-N
MW181.19 g/mol
LogP-2.65
Rot. Bonds4

About diazanium;2-aminopentanedioate

diazanium;2-aminopentanedioate (PubChem CID 22497325) has the molecular formula C5H15N3O4 and a molecular weight of 181.19 g/mol. Its IUPAC name is diazanium;2-aminopentanedioate.

Molecular Properties

Compound Namediazanium;2-aminopentanedioate
PubChem CID22497325
Molecular FormulaC5H15N3O4
Molecular Weight181.19 g/mol
Exact Mass181.11
IUPAC Namediazanium;2-aminopentanedioate
SMILESNC(CCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C5H9NO4.2H3N/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3
InChIKeyHCGIOFQTKHOCPM-UHFFFAOYSA-N
XLogP-2.65
TPSA179.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze diazanium;2-aminopentanedioate 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

(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127

Frequently Asked Questions

What is the IUPAC name of diazanium;2-aminopentanedioate?
The IUPAC name of diazanium;2-aminopentanedioate (CID 22497325) is diazanium;2-aminopentanedioate.
What is the SMILES notation for diazanium;2-aminopentanedioate?
The canonical SMILES for diazanium;2-aminopentanedioate is NC(CCC(=O)[O-])C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2-aminopentanedioate?
The InChIKey is HCGIOFQTKHOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.2H3N/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2*1H3.
What are the key properties of diazanium;2-aminopentanedioate?
diazanium;2-aminopentanedioate has a molecular weight of 181.19 g/mol, XLogP of -2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2-aminopentanedioate is sourced from PubChem (CID 22497325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).