benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)

C22H42N4O12 — CID 173051474

IUPACbenzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)
SMILESCNCCO.CNCCO.CNCCO.CNCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H6O8.4C3H9NO/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-4-2-3-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*4-5H,2-3H2,1H3
InChIKeyDZCUZNYKHBBFHF-UHFFFAOYSA-N
MW554.59 g/mol
LogP-2.73
Rot. Bonds12

About benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)

benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol) (PubChem CID 173051474) has the molecular formula C22H42N4O12 and a molecular weight of 554.59 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol).

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)
PubChem CID173051474
Molecular FormulaC22H42N4O12
Molecular Weight554.59 g/mol
Exact Mass554.28
IUPAC Namebenzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)
SMILESCNCCO.CNCCO.CNCCO.CNCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C10H6O8.4C3H9NO/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-4-2-3-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*4-5H,2-3H2,1H3
InChIKeyDZCUZNYKHBBFHF-UHFFFAOYSA-N
XLogP-2.73
TPSA278.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 5-2.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)?
The IUPAC name of benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol) (CID 173051474) is benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol).
What is the SMILES notation for benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)?
The canonical SMILES for benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol) is CNCCO.CNCCO.CNCCO.CNCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)?
The InChIKey is DZCUZNYKHBBFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4C3H9NO/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;4*1-4-2-3-5/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*4-5H,2-3H2,1H3.
What are the key properties of benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol)?
benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol) has a molecular weight of 554.59 g/mol, XLogP of -2.73, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarboxylic acid;tetrakis(2-(methylamino)ethanol) is sourced from PubChem (CID 173051474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).