2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)

C26H34N4O7 — CID 172575689

IUPAC2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)
SMILESCOc1ccc2[nH]cc(CC[NH3+])c2c1.COc1ccc2[nH]cc(CC[NH3+])c2c1.O=C([O-])CC(O)C(=O)[O-]
InChIInChI=1S/2C11H14N2O.C4H6O5/c2*1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;5-2(4(8)9)1-3(6)7/h2*2-3,6-7,13H,4-5,12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyCHTCBRSWQMYWSA-UHFFFAOYSA-N
MW514.58 g/mol
LogP-1.84
Rot. Bonds9

About 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)

2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium) (PubChem CID 172575689) has the molecular formula C26H34N4O7 and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium).

Molecular Properties

Compound Name2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)
PubChem CID172575689
Molecular FormulaC26H34N4O7
Molecular Weight514.58 g/mol
Exact Mass514.24
IUPAC Name2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)
SMILESCOc1ccc2[nH]cc(CC[NH3+])c2c1.COc1ccc2[nH]cc(CC[NH3+])c2c1.O=C([O-])CC(O)C(=O)[O-]
InChIInChI=1S/2C11H14N2O.C4H6O5/c2*1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;5-2(4(8)9)1-3(6)7/h2*2-3,6-7,13H,4-5,12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyCHTCBRSWQMYWSA-UHFFFAOYSA-N
XLogP-1.84
TPSA205.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Solypertine Tartrate
CID 267773
5-Methoxy DMT oxalate
CID 9944443
3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 181137
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole succinate
CID 108028
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
CID 11797158
2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
1H-Indole, 3,3'-methylenebis[5-methoxy-
CID 9944370
9-Methoxyellipticine lactate
CID 169423
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(3-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetylamino}-propyl)-acetamide
CID 10696930
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetylamino}-phenyl)-acetamide
CID 11800592

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)?
The IUPAC name of 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium) (CID 172575689) is 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium).
What is the SMILES notation for 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)?
The canonical SMILES for 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium) is COc1ccc2[nH]cc(CC[NH3+])c2c1.COc1ccc2[nH]cc(CC[NH3+])c2c1.O=C([O-])CC(O)C(=O)[O-].
What is the InChIKey of 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)?
The InChIKey is CHTCBRSWQMYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2O.C4H6O5/c2*1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;5-2(4(8)9)1-3(6)7/h2*2-3,6-7,13H,4-5,12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium)?
2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium) has a molecular weight of 514.58 g/mol, XLogP of -1.84, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioate;bis(2-(5-methoxy-1H-indol-3-yl)ethylazanium) is sourced from PubChem (CID 172575689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).