methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate

C13H15NO4 — CID 43756848

IUPACmethyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C13H15NO4/c1-16-11-5-3-4-9-6-10(18-13(9)11)7-14-8-12(15)17-2/h3-6,14H,7-8H2,1-2H3
InChIKeyIRCLWLOXMKWDOD-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate

methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate (PubChem CID 43756848) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
PubChem CID43756848
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C13H15NO4/c1-16-11-5-3-4-9-6-10(18-13(9)11)7-14-8-12(15)17-2/h3-6,14H,7-8H2,1-2H3
InChIKeyIRCLWLOXMKWDOD-UHFFFAOYSA-N
XLogP1.70
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate (CID 43756848) is methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate is COC(=O)CNCc1cc2cccc(OC)c2o1.
What is the InChIKey of methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate?
The InChIKey is IRCLWLOXMKWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-16-11-5-3-4-9-6-10(18-13(9)11)7-14-8-12(15)17-2/h3-6,14H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate?
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate has a molecular weight of 249.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate is sourced from PubChem (CID 43756848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).