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

C17H28N2O3 — CID 107244595

IUPACtert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCCN1C(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-13(14-8-11-21-12-14)18-9-7-15-6-5-10-19(15)16(20)22-17(2,3)4/h8,11-13,15,18H,5-7,9-10H2,1-4H3
InChIKeyMZJGYTJSJMXFID-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.72
Rot. Bonds5

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

tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 107244595) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
PubChem CID107244595
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCCN1C(=O)OC(C)(C)C)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-13(14-8-11-21-12-14)18-9-7-15-6-5-10-19(15)16(20)22-17(2,3)4/h8,11-13,15,18H,5-7,9-10H2,1-4H3
InChIKeyMZJGYTJSJMXFID-UHFFFAOYSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
tert-butyl 2-[2-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244377
tert-butyl 2-[3-(propan-2-ylamino)propyl]piperidine-1-carboxylate
CID 71633110
tert-butyl 2-[2-(1-cyclopropylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244471
tert-butyl 2-[2-(1-ethylsulfonylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244540
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
tert-butyl 2-[[4-[furan-3-yl(phenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69047628
tert-butyl 2-[2-(octan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244437
tert-butyl 2-[2-(1,3-thiazol-5-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244411
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[2-(5-fluoro-2-propan-2-ylanilino)ethyl]pyrrolidine-1-carboxylate
CID 176701380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate (CID 107244595) is tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is CC(NCCC1CCCN1C(=O)OC(C)(C)C)c1ccoc1.
What is the InChIKey of tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is MZJGYTJSJMXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(14-8-11-21-12-14)18-9-7-15-6-5-10-19(15)16(20)22-17(2,3)4/h8,11-13,15,18H,5-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.72, 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-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).