[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride

C12H15ClN2O5 — CID 70482628

IUPAC[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cc2c(C(O)CN)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C12H14N2O5.ClH/c1-18-12(17)19-10-4-7-6(9(16)5-13)2-3-8(15)11(7)14-10;/h2-4,9,14-16H,5,13H2,1H3;1H
InChIKeyHEGADZJKOVWZIC-UHFFFAOYSA-N
MW302.71 g/mol
LogP1.43
Rot. Bonds3

About [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride

[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride (PubChem CID 70482628) has the molecular formula C12H15ClN2O5 and a molecular weight of 302.71 g/mol. Its IUPAC name is [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride.

Molecular Properties

Compound Name[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride
PubChem CID70482628
Molecular FormulaC12H15ClN2O5
Molecular Weight302.71 g/mol
Exact Mass302.07
IUPAC Name[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride
SMILESCOC(=O)Oc1cc2c(C(O)CN)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C12H14N2O5.ClH/c1-18-12(17)19-10-4-7-6(9(16)5-13)2-3-8(15)11(7)14-10;/h2-4,9,14-16H,5,13H2,1H3;1H
InChIKeyHEGADZJKOVWZIC-UHFFFAOYSA-N
XLogP1.43
TPSA117.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate
CID 70482880
[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate
CID 70481790
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
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
(7-hydroxy-1H-indol-2-yl) 2-methylpropyl carbonate
CID 70474454
2,2-dimethylpropanoyloxymethyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate
CID 13243470
acetic acid;7-(2-amino-1-hydroxyethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one
CID 67166260
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
2-(dimethylamino)ethyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate
CID 13243459
[4-[2-(tert-butylamino)acetyl]-7-methoxy-1H-indol-2-yl] methyl carbonate;hydrochloride
CID 70474658
3-[(1R)-2-amino-1-hydroxyethyl]-2-ethoxyphenol
CID 22872523

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The IUPAC name of [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride (CID 70482628) is [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride.
What is the SMILES notation for [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The canonical SMILES for [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride is COC(=O)Oc1cc2c(C(O)CN)ccc(O)c2[nH]1.Cl.
What is the InChIKey of [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
The InChIKey is HEGADZJKOVWZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5.ClH/c1-18-12(17)19-10-4-7-6(9(16)5-13)2-3-8(15)11(7)14-10;/h2-4,9,14-16H,5,13H2,1H3;1H.
What are the key properties of [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride?
[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride has a molecular weight of 302.71 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride is sourced from PubChem (CID 70482628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).