methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate

C19H19NO2 — CID 11449252

IUPACmethyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-20-13-17(15-10-6-7-11-18(15)20)16(12-19(21)22-2)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-/m1/s1
InChIKeyNFIUVSIKIXOXQK-MRXNPFEDSA-N
MW293.37 g/mol
LogP3.87
Rot. Bonds4

About methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate

methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate (PubChem CID 11449252) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate
PubChem CID11449252
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-20-13-17(15-10-6-7-11-18(15)20)16(12-19(21)22-2)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-/m1/s1
InChIKeyNFIUVSIKIXOXQK-MRXNPFEDSA-N
XLogP3.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate (CID 11449252) is methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate is COC(=O)C[C@H](c1ccccc1)c1cn(C)c2ccccc12.
What is the InChIKey of methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate?
The InChIKey is NFIUVSIKIXOXQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-13-17(15-10-6-7-11-18(15)20)16(12-19(21)22-2)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate?
methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate has a molecular weight of 293.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(1-methylindol-3-yl)-3-phenylpropanoate is sourced from PubChem (CID 11449252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).