ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate

C18H24N2O2 — CID 90274023

IUPACethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C)n([C@H]2CNC[C@H]2C)c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-4-22-18(21)9-15-13(3)20(17-11-19-10-12(17)2)16-8-6-5-7-14(15)16/h5-8,12,17,19H,4,9-11H2,1-3H3/t12-,17+/m1/s1
InChIKeyYNWHBLLYEODWHU-PXAZEXFGSA-N
MW300.40 g/mol
LogP2.84
Rot. Bonds4

About ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate

ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate (PubChem CID 90274023) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate
PubChem CID90274023
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate
SMILESCCOC(=O)Cc1c(C)n([C@H]2CNC[C@H]2C)c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-4-22-18(21)9-15-13(3)20(17-11-19-10-12(17)2)16-8-6-5-7-14(15)16/h5-8,12,17,19H,4,9-11H2,1-3H3/t12-,17+/m1/s1
InChIKeyYNWHBLLYEODWHU-PXAZEXFGSA-N
XLogP2.84
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate
CID 70878289
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
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1-O-tert-butyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)indole-1,2-dicarboxylate
CID 59409118
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 2-[2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetate
CID 151007121
ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate
CID 2785575
ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate
CID 71424777
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
propyl 2-(6-methyl-7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetate
CID 59487228
tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate (CID 90274023) is ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate is CCOC(=O)Cc1c(C)n([C@H]2CNC[C@H]2C)c2ccccc12.
What is the InChIKey of ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate?
The InChIKey is YNWHBLLYEODWHU-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-22-18(21)9-15-13(3)20(17-11-19-10-12(17)2)16-8-6-5-7-14(15)16/h5-8,12,17,19H,4,9-11H2,1-3H3/t12-,17+/m1/s1.
What are the key properties of ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate?
ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate has a molecular weight of 300.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-1-[(3R,4R)-4-methylpyrrolidin-3-yl]indol-3-yl]acetate is sourced from PubChem (CID 90274023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).