methyl 4-[furan-2-carbonyl(methyl)amino]butanoate

C11H15NO4 — CID 60714315

IUPACmethyl 4-[furan-2-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-12(7-3-6-10(13)15-2)11(14)9-5-4-8-16-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRIWKYRGCLLTLTE-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.30
Rot. Bonds5

About methyl 4-[furan-2-carbonyl(methyl)amino]butanoate

methyl 4-[furan-2-carbonyl(methyl)amino]butanoate (PubChem CID 60714315) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 4-[furan-2-carbonyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[furan-2-carbonyl(methyl)amino]butanoate
PubChem CID60714315
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 4-[furan-2-carbonyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccco1
InChIInChI=1S/C11H15NO4/c1-12(7-3-6-10(13)15-2)11(14)9-5-4-8-16-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRIWKYRGCLLTLTE-UHFFFAOYSA-N
XLogP1.30
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-[8-(methylamino)octyl]furan-2-carboxamide
CID 14423358
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-methylamino]butanoate
CID 60734442
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
methyl 4-[(2,3-dimethylbenzoyl)-methylamino]butanoate
CID 54943241
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452

Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-2-carbonyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[furan-2-carbonyl(methyl)amino]butanoate (CID 60714315) is methyl 4-[furan-2-carbonyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[furan-2-carbonyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[furan-2-carbonyl(methyl)amino]butanoate is COC(=O)CCCN(C)C(=O)c1ccco1.
What is the InChIKey of methyl 4-[furan-2-carbonyl(methyl)amino]butanoate?
The InChIKey is RIWKYRGCLLTLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-12(7-3-6-10(13)15-2)11(14)9-5-4-8-16-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of methyl 4-[furan-2-carbonyl(methyl)amino]butanoate?
methyl 4-[furan-2-carbonyl(methyl)amino]butanoate has a molecular weight of 225.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-2-carbonyl(methyl)amino]butanoate is sourced from PubChem (CID 60714315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).