[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate

C15H20N2O5 — CID 70481790

IUPAC[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate
SMILESCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(OC(=O)O)cc12
InChIInChI=1S/C15H20N2O5/c1-15(2,3)16-7-11(19)8-4-5-10(18)13-9(8)6-12(17-13)22-14(20)21/h4-6,11,16-19H,7H2,1-3H3,(H,20,21)
InChIKeyGEHOWGXYSRMIIE-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.35
Rot. Bonds4

About [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate

[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate (PubChem CID 70481790) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate
PubChem CID70481790
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate
SMILESCC(C)(C)NCC(O)c1ccc(O)c2[nH]c(OC(=O)O)cc12
InChIInChI=1S/C15H20N2O5/c1-15(2,3)16-7-11(19)8-4-5-10(18)13-9(8)6-12(17-13)22-14(20)21/h4-6,11,16-19H,7H2,1-3H3,(H,20,21)
InChIKeyGEHOWGXYSRMIIE-UHFFFAOYSA-N
XLogP2.35
TPSA114.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethylpropanoyloxymethyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate
CID 13243470
[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride
CID 70482628
2-(dimethylamino)ethyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate
CID 13243459
[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate
CID 70482880
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
CID 138473211
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chloro-2-methoxyphenol
CID 97170295
ethyl 4-[2-[6-[[2-(2-ethoxycarbonyl-7-hydroxy-1H-indol-4-yl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate;dihydrochloride
CID 70381939
(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
CID 67177306
4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzene-1,2-diol
CID 54563493
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;methanesulfonic acid
CID 52911505

Frequently Asked Questions

What is the IUPAC name of [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate?
The IUPAC name of [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate (CID 70481790) is [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate.
What is the SMILES notation for [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate?
The canonical SMILES for [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate is CC(C)(C)NCC(O)c1ccc(O)c2[nH]c(OC(=O)O)cc12.
What is the InChIKey of [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate?
The InChIKey is GEHOWGXYSRMIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)16-7-11(19)8-4-5-10(18)13-9(8)6-12(17-13)22-14(20)21/h4-6,11,16-19H,7H2,1-3H3,(H,20,21).
What are the key properties of [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate?
[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate has a molecular weight of 308.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate is sourced from PubChem (CID 70481790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).