tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate

C20H29N3O2 — CID 83976388

IUPACtert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCc1ccc2[nH]cc(C(CN)C3CCN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C20H29N3O2/c1-13-5-6-18-15(9-13)17(11-22-18)16(10-21)14-7-8-23(12-14)19(24)25-20(2,3)4/h5-6,9,11,14,16,22H,7-8,10,12,21H2,1-4H3
InChIKeyRZHWNCQYWDJFSR-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 83976388) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID83976388
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nametert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCc1ccc2[nH]cc(C(CN)C3CCN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C20H29N3O2/c1-13-5-6-18-15(9-13)17(11-22-18)16(10-21)14-7-8-23(12-14)19(24)25-20(2,3)4/h5-6,9,11,14,16,22H,7-8,10,12,21H2,1-4H3
InChIKeyRZHWNCQYWDJFSR-UHFFFAOYSA-N
XLogP3.78
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112538964
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CID 83977012
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
tert-butyl 2-[2-amino-1-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate;ethane
CID 143960854
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3-chloro-6-methyl-9H-carbazole;ethane
CID 145273604
tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate
CID 83973003
tert-butyl (2R,3S)-2-[2-amino-1-(1H-indol-3-yl)ethyl]-3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 123593229
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 4-[2-hydroxy-1-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 143382792
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl 3-[1-hydroxy-3-(4-methylphenyl)sulfonyloxypropyl]pyrrolidine-1-carboxylate
CID 123934090

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate (CID 83976388) is tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate is Cc1ccc2[nH]cc(C(CN)C3CCN(C(=O)OC(C)(C)C)C3)c2c1.
What is the InChIKey of tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is RZHWNCQYWDJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13-5-6-18-15(9-13)17(11-22-18)16(10-21)14-7-8-23(12-14)19(24)25-20(2,3)4/h5-6,9,11,14,16,22H,7-8,10,12,21H2,1-4H3.
What are the key properties of tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-amino-1-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 83976388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).