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

C15H21NO5 — CID 104624433

IUPACtert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CC(=O)c1ccco1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-6-8-19-10-11(16)9-12(17)13-5-4-7-20-13/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyGOWSEMNWDAZDAC-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.49
Rot. Bonds3

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

tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate (PubChem CID 104624433) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
PubChem CID104624433
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nametert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CC(=O)c1ccco1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-6-8-19-10-11(16)9-12(17)13-5-4-7-20-13/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyGOWSEMNWDAZDAC-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[2-(5-bromofuran-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856606
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl 3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856522
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244048

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate (CID 104624433) is tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CC(=O)c1ccco1.
What is the InChIKey of tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate?
The InChIKey is GOWSEMNWDAZDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-6-8-19-10-11(16)9-12(17)13-5-4-7-20-13/h4-5,7,11H,6,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 2.49, 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-2-yl)-2-oxoethyl]morpholine-4-carboxylate is sourced from PubChem (CID 104624433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).