azane;tetrakis(carboxymethyl)azanium

C8H18N3O8+ — CID 87323838

IUPACazane;tetrakis(carboxymethyl)azanium
SMILESN.N.O=C(O)C[N+](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H11NO8.2H3N/c10-5(11)1-9(2-6(12)13,3-7(14)15)4-8(16)17;;/h1-4H2,(H3-,10,11,12,13,14,15,16,17);2*1H3/p+1
InChIKeyJNVHJZUIBBYDCW-UHFFFAOYSA-O
MW284.25 g/mol
LogP-1.53
Rot. Bonds8

About azane;tetrakis(carboxymethyl)azanium

azane;tetrakis(carboxymethyl)azanium (PubChem CID 87323838) has the molecular formula C8H18N3O8+ and a molecular weight of 284.25 g/mol. Its IUPAC name is azane;tetrakis(carboxymethyl)azanium.

Molecular Properties

Compound Nameazane;tetrakis(carboxymethyl)azanium
PubChem CID87323838
Molecular FormulaC8H18N3O8+
Molecular Weight284.25 g/mol
Exact Mass284.11
IUPAC Nameazane;tetrakis(carboxymethyl)azanium
SMILESN.N.O=C(O)C[N+](CC(=O)O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H11NO8.2H3N/c10-5(11)1-9(2-6(12)13,3-7(14)15)4-8(16)17;;/h1-4H2,(H3-,10,11,12,13,14,15,16,17);2*1H3/p+1
InChIKeyJNVHJZUIBBYDCW-UHFFFAOYSA-O
XLogP-1.53
TPSA219.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.25
LogP ≤ 5-1.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

azane;2-[tris(carboxymethyl)azaniumyl]acetate;hydrate
CID 173231263
tris(carboxymethyl)-(2-hydroxyethyl)azanium
CID 10331654
azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate
CID 173407569
sodium;azane;2-[bis(carboxymethyl)-(2-ethoxy-2-oxoethyl)azaniumyl]acetate
CID 173157923
azane;1-carboxyethenyl-tris(carboxymethyl)azanium
CID 87396225
azane;butanedioic acid
CID 87070561
azane;butanedioic acid;dihydrate
CID 141112137
azane;2-hydroxyacetic acid;zirconium
CID 173458110
carboxymethyl-bis(prop-2-enyl)-undecylazanium
CID 101084862
azane;2-[tris(carboxymethyl)azaniumyl]butanoate
CID 173074972
azane;carbonic acid
CID 173237446
carboxymethyl-(3-chloro-2-hydroxypropyl)-dimethylazanium
CID 19797980

Frequently Asked Questions

What is the IUPAC name of azane;tetrakis(carboxymethyl)azanium?
The IUPAC name of azane;tetrakis(carboxymethyl)azanium (CID 87323838) is azane;tetrakis(carboxymethyl)azanium.
What is the SMILES notation for azane;tetrakis(carboxymethyl)azanium?
The canonical SMILES for azane;tetrakis(carboxymethyl)azanium is N.N.O=C(O)C[N+](CC(=O)O)(CC(=O)O)CC(=O)O.
What is the InChIKey of azane;tetrakis(carboxymethyl)azanium?
The InChIKey is JNVHJZUIBBYDCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO8.2H3N/c10-5(11)1-9(2-6(12)13,3-7(14)15)4-8(16)17;;/h1-4H2,(H3-,10,11,12,13,14,15,16,17);2*1H3/p+1.
What are the key properties of azane;tetrakis(carboxymethyl)azanium?
azane;tetrakis(carboxymethyl)azanium has a molecular weight of 284.25 g/mol, XLogP of -1.53, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetrakis(carboxymethyl)azanium is sourced from PubChem (CID 87323838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).