trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium

C10H16NO9+ — CID 141084760

IUPACtrimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium
SMILESC[N+](C)(C)CC(O)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO9/c1-11(2,3)4-9(20,5(12)13)10(6(14)15,7(16)17)8(18)19/h20H,4H2,1-3H3,(H3-,12,13,14,15,16,17,18,19)/p+1
InChIKeyGCKCYUCWEUPKKI-UHFFFAOYSA-O
MW294.24 g/mol
LogP-2.25
Rot. Bonds7

About trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium

trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium (PubChem CID 141084760) has the molecular formula C10H16NO9+ and a molecular weight of 294.24 g/mol. Its IUPAC name is trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium.

Molecular Properties

Compound Nametrimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium
PubChem CID141084760
Molecular FormulaC10H16NO9+
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Nametrimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium
SMILESC[N+](C)(C)CC(O)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C10H15NO9/c1-11(2,3)4-9(20,5(12)13)10(6(14)15,7(16)17)8(18)19/h20H,4H2,1-3H3,(H3-,12,13,14,15,16,17,18,19)/p+1
InChIKeyGCKCYUCWEUPKKI-UHFFFAOYSA-O
XLogP-2.25
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium 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

3,4-dihydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]butanoate
CID 141284408
(2-acetyl-2-hydroxy-3-oxobutyl)-trimethylazanium
CID 18364704
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 86184670
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
(2,4-dihydroxy-3-oxo-2-propanoylpentyl)-trimethylazanium iodide
CID 21153206
2,3,3-triethylpentane-1,1,1,2-tetracarboxylic acid
CID 151980254
(2-hydroxy-2-phenyl-2-phosphonoethyl)-trimethylazanium
CID 70288650
[(2R)-2-(carboxymethyl)-5-deuterio-2-hydroxy-3-oxopentyl]-trimethylazanium
CID 139633592
[3-carboxy-2-hydroxy-2-(phosphonoamino)propyl]-trimethylazanium
CID 141198754
3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]pentanoate
CID 159794166

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium?
The IUPAC name of trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium (CID 141084760) is trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium.
What is the SMILES notation for trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium?
The canonical SMILES for trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium is C[N+](C)(C)CC(O)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium?
The InChIKey is GCKCYUCWEUPKKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO9/c1-11(2,3)4-9(20,5(12)13)10(6(14)15,7(16)17)8(18)19/h20H,4H2,1-3H3,(H3-,12,13,14,15,16,17,18,19)/p+1.
What are the key properties of trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium?
trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium has a molecular weight of 294.24 g/mol, XLogP of -2.25, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2,3,3,3-tetracarboxy-2-hydroxypropyl)azanium is sourced from PubChem (CID 141084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).