[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride

C16H19ClN2O5 — CID 70474237

IUPAC[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)Oc1cc2c(C(=O)CNC3CC3)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C16H18N2O5.ClH/c1-2-22-16(21)23-14-7-11-10(5-6-12(19)15(11)18-14)13(20)8-17-9-3-4-9;/h5-7,9,17-19H,2-4,8H2,1H3;1H
InChIKeyWDXQHXULIGOXHV-UHFFFAOYSA-N
MW354.79 g/mol
LogP2.77
Rot. Bonds6

About [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride

[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride (PubChem CID 70474237) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride
PubChem CID70474237
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC Name[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)Oc1cc2c(C(=O)CNC3CC3)ccc(O)c2[nH]1.Cl
InChIInChI=1S/C16H18N2O5.ClH/c1-2-22-16(21)23-14-7-11-10(5-6-12(19)15(11)18-14)13(20)8-17-9-3-4-9;/h5-7,9,17-19H,2-4,8H2,1H3;1H
InChIKeyWDXQHXULIGOXHV-UHFFFAOYSA-N
XLogP2.77
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride?
The IUPAC name of [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride (CID 70474237) is [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride.
What is the SMILES notation for [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride?
The canonical SMILES for [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride is CCOC(=O)Oc1cc2c(C(=O)CNC3CC3)ccc(O)c2[nH]1.Cl.
What is the InChIKey of [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride?
The InChIKey is WDXQHXULIGOXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5.ClH/c1-2-22-16(21)23-14-7-11-10(5-6-12(19)15(11)18-14)13(20)8-17-9-3-4-9;/h5-7,9,17-19H,2-4,8H2,1H3;1H.
What are the key properties of [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride?
[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride has a molecular weight of 354.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride is sourced from PubChem (CID 70474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).