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

C15H24N2O3 — CID 107092663

IUPACtert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2ccoc2)C1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-6-4-12(9-17)13(16)8-11-5-7-19-10-11/h5,7,10,12-13H,4,6,8-9,16H2,1-3H3
InChIKeyMFVDBDNLYVWKIF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.41
Rot. Bonds3

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

tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107092663) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID107092663
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2ccoc2)C1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-6-4-12(9-17)13(16)8-11-5-7-19-10-11/h5,7,10,12-13H,4,6,8-9,16H2,1-3H3
InChIKeyMFVDBDNLYVWKIF-UHFFFAOYSA-N
XLogP2.41
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[1-amino-2-(4-bromophenyl)ethyl]piperidine-1-carboxylate
CID 174556643
tert-butyl 3-(1-amino-3-ethylpentyl)pyrrolidine-1-carboxylate
CID 107092651
tert-butyl 3-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]pyrrolidine-1-carboxylate
CID 107092308
tert-butyl 3-[1-amino-2-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 11631457
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl 3-(1-amino-2-ethoxyethyl)pyrrolidine-1-carboxylate
CID 107092558
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl (3R)-3-[(2S)-3-(4-aminophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 170083391
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458
tert-butyl 3-(1-aminohex-4-ynyl)pyrrolidine-1-carboxylate
CID 107092691
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl (3R)-3-[[ethyl(furan-3-ylmethyl)carbamoyl]amino]pyrrolidine-1-carboxylate
CID 96516592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate (CID 107092663) is tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)Cc2ccoc2)C1.
What is the InChIKey of tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is MFVDBDNLYVWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-6-4-12(9-17)13(16)8-11-5-7-19-10-11/h5,7,10,12-13H,4,6,8-9,16H2,1-3H3.
What are the key properties of tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).