tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate

C12H17NO4 — CID 78991307

IUPACtert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1ccco1
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-10(14)8-13(4)11(15)9-6-5-7-16-9/h5-7H,8H2,1-4H3
InChIKeyFCPXJJGUEHTNIW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.69
Rot. Bonds3

About tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate

tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate (PubChem CID 78991307) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
PubChem CID78991307
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)c1ccco1
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-10(14)8-13(4)11(15)9-6-5-7-16-9/h5-7H,8H2,1-4H3
InChIKeyFCPXJJGUEHTNIW-UHFFFAOYSA-N
XLogP1.69
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43047921
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
methyl 4-[furan-2-carbonyl(methyl)amino]butanoate
CID 60714315

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The IUPAC name of tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate (CID 78991307) is tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)c1ccco1.
What is the InChIKey of tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate?
The InChIKey is FCPXJJGUEHTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,3)17-10(14)8-13(4)11(15)9-6-5-7-16-9/h5-7H,8H2,1-4H3.
What are the key properties of tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate?
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 78991307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).