diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate

C10H22N4O6 — CID 56841271

IUPACdiazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCCNC(=O)CCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3
InChIKeyUOGRUYUDAUFIAE-UHFFFAOYSA-N
MW294.31 g/mol
LogP-2.97
Rot. Bonds9

About diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate

diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate (PubChem CID 56841271) has the molecular formula C10H22N4O6 and a molecular weight of 294.31 g/mol. Its IUPAC name is diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namediazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate
PubChem CID56841271
Molecular FormulaC10H22N4O6
Molecular Weight294.31 g/mol
Exact Mass294.15
IUPAC Namediazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NCCNC(=O)CCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3
InChIKeyUOGRUYUDAUFIAE-UHFFFAOYSA-N
XLogP-2.97
TPSA211.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate?
The IUPAC name of diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate (CID 56841271) is diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate.
What is the SMILES notation for diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate?
The canonical SMILES for diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate is O=C([O-])CCC(=O)NCCNC(=O)CCC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate?
The InChIKey is UOGRUYUDAUFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6.2H3N/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18;;/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*1H3.
What are the key properties of diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate?
diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate has a molecular weight of 294.31 g/mol, XLogP of -2.97, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;4-[2-(3-carboxylatopropanoylamino)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 56841271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).