methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate

C14H17NO2 — CID 116993648

IUPACmethyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)c1c(C)cc2ccccn12
InChIInChI=1S/C14H17NO2/c1-10-9-11-7-5-6-8-15(11)12(10)14(2,3)13(16)17-4/h5-9H,1-4H3
InChIKeyGQMFHTVMMVAKET-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.70
Rot. Bonds2

About methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate

methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate (PubChem CID 116993648) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate
PubChem CID116993648
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)c1c(C)cc2ccccn12
InChIInChI=1S/C14H17NO2/c1-10-9-11-7-5-6-8-15(11)12(10)14(2,3)13(16)17-4/h5-9H,1-4H3
InChIKeyGQMFHTVMMVAKET-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate (CID 116993648) is methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate is COC(=O)C(C)(C)c1c(C)cc2ccccn12.
What is the InChIKey of methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate?
The InChIKey is GQMFHTVMMVAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-9-11-7-5-6-8-15(11)12(10)14(2,3)13(16)17-4/h5-9H,1-4H3.
What are the key properties of methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate?
methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate has a molecular weight of 231.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-methylindolizin-3-yl)propanoate is sourced from PubChem (CID 116993648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).