tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate

C18H27N3O2 — CID 107239400

IUPACtert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-10-8-15(12-21)20-11-14-6-4-5-13-7-9-19-16(13)14/h4-6,15,19-20H,7-12H2,1-3H3
InChIKeyZAIVRDRGQSOUCF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate (PubChem CID 107239400) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate
PubChem CID107239400
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-10-8-15(12-21)20-11-14-6-4-5-13-7-9-19-16(13)14/h4-6,15,19-20H,7-12H2,1-3H3
InChIKeyZAIVRDRGQSOUCF-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
tert-butyl (3R)-3-[(2-nitrophenyl)methylamino]pyrrolidine-1-carboxylate
CID 129194777
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]pyrrolidine-1-carboxylate
CID 96951609
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl 3-[(4-methylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960869
tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 103524796
tert-butyl (3S)-3-[(5-amino-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 66738148
N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
tert-butyl 3-[(2-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 63302872
tert-butyl 3-[(3-sulfamoylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 113268866
tert-butyl 3-[(2,3-difluorophenyl)methylamino]azetidine-1-carboxylate
CID 103748573
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate (CID 107239400) is tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cccc3c2NCC3)C1.
What is the InChIKey of tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate?
The InChIKey is ZAIVRDRGQSOUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-10-8-15(12-21)20-11-14-6-4-5-13-7-9-19-16(13)14/h4-6,15,19-20H,7-12H2,1-3H3.
What are the key properties of tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 107239400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).