bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid

C13H28N2O11 — CID 173435431

IUPACbis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
SMILESCOC(C(=O)O)(C(=O)O)C(=O)O.OCCNCCO.OCCNCCO
InChIInChI=1S/C5H6O7.2C4H11NO2/c1-12-5(2(6)7,3(8)9)4(10)11;2*6-3-1-5-2-4-7/h1H3,(H,6,7)(H,8,9)(H,10,11);2*5-7H,1-4H2
InChIKeyXIKJVDRATOCMSW-UHFFFAOYSA-N
MW388.37 g/mol
LogP-4.25
Rot. Bonds12

About bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid

bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid (PubChem CID 173435431) has the molecular formula C13H28N2O11 and a molecular weight of 388.37 g/mol. Its IUPAC name is bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid.

Molecular Properties

Compound Namebis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
PubChem CID173435431
Molecular FormulaC13H28N2O11
Molecular Weight388.37 g/mol
Exact Mass388.17
IUPAC Namebis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
SMILESCOC(C(=O)O)(C(=O)O)C(=O)O.OCCNCCO.OCCNCCO
InChIInChI=1S/C5H6O7.2C4H11NO2/c1-12-5(2(6)7,3(8)9)4(10)11;2*6-3-1-5-2-4-7/h1H3,(H,6,7)(H,8,9)(H,10,11);2*5-7H,1-4H2
InChIKeyXIKJVDRATOCMSW-UHFFFAOYSA-N
XLogP-4.25
TPSA226.11 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 5-4.25
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

methoxymethanetricarboxylic acid
CID 18424768
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076050
2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
CID 169191964
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
2-(2-hydroxyethylamino)ethanol;terephthalic acid
CID 70636860
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
2-(2-hydroxyethylamino)ethyl hydrogen carbonate
CID 23179916
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
CID 59367923

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid?
The IUPAC name of bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid (CID 173435431) is bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid.
What is the SMILES notation for bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid?
The canonical SMILES for bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid is COC(C(=O)O)(C(=O)O)C(=O)O.OCCNCCO.OCCNCCO.
What is the InChIKey of bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid?
The InChIKey is XIKJVDRATOCMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O7.2C4H11NO2/c1-12-5(2(6)7,3(8)9)4(10)11;2*6-3-1-5-2-4-7/h1H3,(H,6,7)(H,8,9)(H,10,11);2*5-7H,1-4H2.
What are the key properties of bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid?
bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid has a molecular weight of 388.37 g/mol, XLogP of -4.25, 12 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid is sourced from PubChem (CID 173435431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).