tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate

C17H21BrN2O3 — CID 58316093

IUPACtert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1C1=Nc2cc(Br)ccc2C1
InChIInChI=1S/C17H21BrN2O3/c1-17(2,3)23-16(21)20-6-7-22-10-15(20)14-8-11-4-5-12(18)9-13(11)19-14/h4-5,9,15H,6-8,10H2,1-3H3/t15-/m0/s1
InChIKeyNYLSVRVIJWZBFM-HNNXBMFYSA-N
MW381.27 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate

tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate (PubChem CID 58316093) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate
PubChem CID58316093
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC Nametert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1C1=Nc2cc(Br)ccc2C1
InChIInChI=1S/C17H21BrN2O3/c1-17(2,3)23-16(21)20-6-7-22-10-15(20)14-8-11-4-5-12(18)9-13(11)19-14/h4-5,9,15H,6-8,10H2,1-3H3/t15-/m0/s1
InChIKeyNYLSVRVIJWZBFM-HNNXBMFYSA-N
XLogP3.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(6-bromo-3H-indol-2-yl)pyrrolidine-1-carboxylate
CID 58226651
tert-butyl (2S)-2-(6-bromo-3H-indol-2-yl)piperidine-1-carboxylate
CID 58316335
4a-Bromo-1-(methoxymethyl)-1-methyl-3,4-dihydropyrido[3,4-b]indole-2-carbaldehyde
CID 139715882
tert-butyl (2S,3aS,7aS)-2-(6-bromo-3H-indol-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 146917640
tert-butyl (3R)-3-[4-(4-bromophenyl)-3H-pyrrol-2-yl]morpholine-4-carboxylate
CID 157053352
tert-butyl (2S)-2-(5-bromo-3H-indol-2-yl)piperidine-1-carboxylate
CID 161871946
tert-Butyl 4-bromo-2-morpholinobenzyl(tetrahydro-2H-pyran-4-yl)carbamate
CID 170453748
tert-Butyl 4-bromo-2-morpholinobenzyl(methyl)carbamate
CID 170453750
tert-Butyl 4-bromo-2-morpholinobenzyl(ethyl)carbamate
CID 170453751
tert-Butyl 4-bromo-2-morpholinobenzyl(isopropyl)carbamate
CID 170453752
tert-Butyl 4-bromo-2-morpholinobenzyl(cyclopropyl)carbamate
CID 170453753
tert-Butyl 4-bromo-2-morpholinobenzyl(cyclopentyl)carbamate
CID 170453754

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate (CID 58316093) is tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1C1=Nc2cc(Br)ccc2C1.
What is the InChIKey of tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate?
The InChIKey is NYLSVRVIJWZBFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-17(2,3)23-16(21)20-6-7-22-10-15(20)14-8-11-4-5-12(18)9-13(11)19-14/h4-5,9,15H,6-8,10H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate?
tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate has a molecular weight of 381.27 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(6-bromo-3H-indol-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 58316093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).