methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate

C15H21NO4 — CID 115350139

IUPACmethyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C15H21NO4/c1-9-5-10-6-14(18-3)11(7-13(10)20-9)12(16-2)8-15(17)19-4/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyDPVDSIGZWHFLQM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds5

About methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate

methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate (PubChem CID 115350139) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
PubChem CID115350139
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc2c(cc1OC)CC(C)O2
InChIInChI=1S/C15H21NO4/c1-9-5-10-6-14(18-3)11(7-13(10)20-9)12(16-2)8-15(17)19-4/h6-7,9,12,16H,5,8H2,1-4H3
InChIKeyDPVDSIGZWHFLQM-UHFFFAOYSA-N
XLogP1.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
3-(dimethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350104
3-(ethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350135
3-formamido-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115349462
ethyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 115349863
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
2,2-difluoro-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 113291942
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate
CID 115349864
2-chloro-N-cyclopropyl-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 115349620
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate (CID 115350139) is methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate is CNC(CC(=O)OC)c1cc2c(cc1OC)CC(C)O2.
What is the InChIKey of methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate?
The InChIKey is DPVDSIGZWHFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-5-10-6-14(18-3)11(7-13(10)20-9)12(16-2)8-15(17)19-4/h6-7,9,12,16H,5,8H2,1-4H3.
What are the key properties of methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate?
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate is sourced from PubChem (CID 115350139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).