tert-butyl 2-(furan-2-carbonylamino)acetate

C11H15NO4 — CID 78966369

IUPACtert-butyl 2-(furan-2-carbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-10(14)8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyDUCYWGUAMIQGIL-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl 2-(furan-2-carbonylamino)acetate

tert-butyl 2-(furan-2-carbonylamino)acetate (PubChem CID 78966369) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is tert-butyl 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(furan-2-carbonylamino)acetate
PubChem CID78966369
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nametert-butyl 2-(furan-2-carbonylamino)acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-10(14)8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyDUCYWGUAMIQGIL-UHFFFAOYSA-N
XLogP1.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
CID 110670866
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
tert-butyl N-[3-[[N-[2-(furan-2-carbonylamino)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887057
[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
CID 46791465
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
tert-butyl 2-(furan-2-yl)-2-oxoacetate
CID 13187906
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(furan-2-carbonylamino)acetate?
The IUPAC name of tert-butyl 2-(furan-2-carbonylamino)acetate (CID 78966369) is tert-butyl 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for tert-butyl 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for tert-butyl 2-(furan-2-carbonylamino)acetate is CC(C)(C)OC(=O)CNC(=O)c1ccco1.
What is the InChIKey of tert-butyl 2-(furan-2-carbonylamino)acetate?
The InChIKey is DUCYWGUAMIQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)16-9(13)7-12-10(14)8-5-4-6-15-8/h4-6H,7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 2-(furan-2-carbonylamino)acetate?
tert-butyl 2-(furan-2-carbonylamino)acetate has a molecular weight of 225.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 78966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).