tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate

C19H32N2O3 — CID 113248586

IUPACtert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(C(C)NC(C)CC2CCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C19H32N2O3/c1-13(20-15(3)17-10-9-14(2)23-17)12-16-8-7-11-21(16)18(22)24-19(4,5)6/h9-10,13,15-16,20H,7-8,11-12H2,1-6H3
InChIKeyQGKQUSGECZWDJK-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.42
Rot. Bonds5

About tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate (PubChem CID 113248586) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
PubChem CID113248586
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(C(C)NC(C)CC2CCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C19H32N2O3/c1-13(20-15(3)17-10-9-14(2)23-17)12-16-8-7-11-21(16)18(22)24-19(4,5)6/h9-10,13,15-16,20H,7-8,11-12H2,1-6H3
InChIKeyQGKQUSGECZWDJK-UHFFFAOYSA-N
XLogP4.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107093651
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tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
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tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
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CID 114415063
tert-butyl 2-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]propyl]piperidine-1-carboxylate
CID 114180017
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723704

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate (CID 113248586) is tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate is Cc1ccc(C(C)NC(C)CC2CCCN2C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is QGKQUSGECZWDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(20-15(3)17-10-9-14(2)23-17)12-16-8-7-11-21(16)18(22)24-19(4,5)6/h9-10,13,15-16,20H,7-8,11-12H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 113248586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).