tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate

C18H30N2O3 — CID 107092658

IUPACtert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCCNC(Cc1ccco1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-5-9-19-16(12-15-7-6-11-22-15)14-8-10-20(13-14)17(21)23-18(2,3)4/h6-7,11,14,16,19H,5,8-10,12-13H2,1-4H3
InChIKeyCZQNYCXOVSLJNO-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.45
Rot. Bonds6

About tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107092658) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID107092658
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCCCNC(Cc1ccco1)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-5-9-19-16(12-15-7-6-11-22-15)14-8-10-20(13-14)17(21)23-18(2,3)4/h6-7,11,14,16,19H,5,8-10,12-13H2,1-4H3
InChIKeyCZQNYCXOVSLJNO-UHFFFAOYSA-N
XLogP3.45
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[4,4-dimethyl-1-(propylamino)pentyl]pyrrolidine-1-carboxylate
CID 107092339
tert-butyl 3-[5-methyl-1-(propylamino)hexyl]pyrrolidine-1-carboxylate
CID 107092654
tert-butyl 3-[(3-bromofuran-2-yl)-(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107092433
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
tert-butyl 3-[(5-methylthiophen-2-yl)-(propylamino)methyl]pyrrolidine-1-carboxylate
CID 107092530
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
tert-butyl 3-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092337
tert-butyl 3-[1-(ethylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092517
tert-butyl 3-[2-(5-chlorothiophen-2-yl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092301
tert-butyl 3-[(3-bromofuran-2-yl)-(ethylamino)methyl]pyrrolidine-1-carboxylate
CID 107092436

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate (CID 107092658) is tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate is CCCNC(Cc1ccco1)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is CZQNYCXOVSLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-9-19-16(12-15-7-6-11-22-15)14-8-10-20(13-14)17(21)23-18(2,3)4/h6-7,11,14,16,19H,5,8-10,12-13H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).