tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate

C20H27N3O3 — CID 36769023

IUPACtert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3O3/c1-20(2,3)26-19(25)23-12-6-9-17(23)18(24)21-11-10-14-13-22-16-8-5-4-7-15(14)16/h4-5,7-8,13,17,22H,6,9-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyTYFMPBXDZRYGTE-QGZVFWFLSA-N
MW357.45 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 36769023) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID36769023
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nametert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H27N3O3/c1-20(2,3)26-19(25)23-12-6-9-17(23)18(24)21-11-10-14-13-22-16-8-5-4-7-15(14)16/h4-5,7-8,13,17,22H,6,9-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyTYFMPBXDZRYGTE-QGZVFWFLSA-N
XLogP3.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
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tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101439832
tert-butyl (2S)-2-[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769436
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CID 68801617
tert-butyl (2R)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 124873958
tert-butyl 2-(3-phenylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 110607489
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
tert-butyl (2R)-2-(2-benzylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate
CID 39964873
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (CID 36769023) is tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is TYFMPBXDZRYGTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,3)26-19(25)23-12-6-9-17(23)18(24)21-11-10-14-13-22-16-8-5-4-7-15(14)16/h4-5,7-8,13,17,22H,6,9-12H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 36769023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).