tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate

C15H21NO5 — CID 103554111

IUPACtert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)Cc1ccoc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-5-7-20-10-12(16)13(17)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3
InChIKeySUEFAPPUSMHTBP-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate

tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate (PubChem CID 103554111) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
PubChem CID103554111
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nametert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(=O)Cc1ccoc1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-5-7-20-10-12(16)13(17)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3
InChIKeySUEFAPPUSMHTBP-UHFFFAOYSA-N
XLogP2.03
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
CID 103554047
tert-butyl 5-[2-(furan-3-yl)acetyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 126818961
tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
CID 103553978
tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxoethyl]benzoic acid
CID 58384782
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate (CID 103554111) is tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(=O)Cc1ccoc1.
What is the InChIKey of tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate?
The InChIKey is SUEFAPPUSMHTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-5-7-20-10-12(16)13(17)8-11-4-6-19-9-11/h4,6,9,12H,5,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).