methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate

C17H22N2O2 — CID 165343225

IUPACmethyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate
SMILESCOC(=O)CC1(C(C)C)NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H22N2O2/c1-11(2)17(10-15(20)21-3)16-13(8-9-18-17)12-6-4-5-7-14(12)19-16/h4-7,11,18-19H,8-10H2,1-3H3
InChIKeyFVFIYFHWHYNLSR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.73
Rot. Bonds3

About methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate

methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate (PubChem CID 165343225) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate
PubChem CID165343225
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Namemethyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate
SMILESCOC(=O)CC1(C(C)C)NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H22N2O2/c1-11(2)17(10-15(20)21-3)16-13(8-9-18-17)12-6-4-5-7-14(12)19-16/h4-7,11,18-19H,8-10H2,1-3H3
InChIKeyFVFIYFHWHYNLSR-UHFFFAOYSA-N
XLogP2.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate?
The IUPAC name of methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate (CID 165343225) is methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate.
What is the SMILES notation for methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate?
The canonical SMILES for methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate is COC(=O)CC1(C(C)C)NCCc2c1[nH]c1ccccc21.
What is the InChIKey of methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate?
The InChIKey is FVFIYFHWHYNLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)17(10-15(20)21-3)16-13(8-9-18-17)12-6-4-5-7-14(12)19-16/h4-7,11,18-19H,8-10H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate?
methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate has a molecular weight of 286.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate is sourced from PubChem (CID 165343225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).