tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate

C18H23NO3 — CID 101043058

IUPACtert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]c(C3CC3)c(CC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H23NO3/c1-18(2,3)22-16(20)10-14-13-9-12(21-4)7-8-15(13)19-17(14)11-5-6-11/h7-9,11,19H,5-6,10H2,1-4H3
InChIKeyZVPNQSHCVCMBGP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate

tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate (PubChem CID 101043058) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
PubChem CID101043058
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nametert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]c(C3CC3)c(CC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H23NO3/c1-18(2,3)22-16(20)10-14-13-9-12(21-4)7-8-15(13)19-17(14)11-5-6-11/h7-9,11,19H,5-6,10H2,1-4H3
InChIKeyZVPNQSHCVCMBGP-UHFFFAOYSA-N
XLogP3.94
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5-methoxy-1H-indole-3-carboxylic acid
CID 84728522
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
2-cyclopentyl-5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 178091739
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 84638099
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
1-[2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 84582403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate (CID 101043058) is tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]c(C3CC3)c(CC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is ZVPNQSHCVCMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2,3)22-16(20)10-14-13-9-12(21-4)7-8-15(13)19-17(14)11-5-6-11/h7-9,11,19H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate?
tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 301.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 101043058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).