tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate

C14H24N2O4 — CID 103554361

IUPACtert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)C1=CCCO1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-6-8-18-9-10(16)12(15)11-5-4-7-19-11/h5,10,12H,4,6-9,15H2,1-3H3
InChIKeyCGPFJMHCLWWWOD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate

tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate (PubChem CID 103554361) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate
PubChem CID103554361
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)C1=CCCO1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-6-8-18-9-10(16)12(15)11-5-4-7-19-11/h5,10,12H,4,6-9,15H2,1-3H3
InChIKeyCGPFJMHCLWWWOD-UHFFFAOYSA-N
XLogP1.25
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate (CID 103554361) is tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)C1=CCCO1.
What is the InChIKey of tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate?
The InChIKey is CGPFJMHCLWWWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-6-8-18-9-10(16)12(15)11-5-4-7-19-11/h5,10,12H,4,6-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino(2,3-dihydrofuran-5-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).