methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate

C14H19NO3 — CID 63091357

IUPACmethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate
SMILESCNC1CCc2c(OC(C)C(=O)OC)cccc21
InChIInChI=1S/C14H19NO3/c1-9(14(16)17-3)18-13-6-4-5-10-11(13)7-8-12(10)15-2/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyHVHIKVZFMJTNJH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate

methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate (PubChem CID 63091357) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate
PubChem CID63091357
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate
SMILESCNC1CCc2c(OC(C)C(=O)OC)cccc21
InChIInChI=1S/C14H19NO3/c1-9(14(16)17-3)18-13-6-4-5-10-11(13)7-8-12(10)15-2/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyHVHIKVZFMJTNJH-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63089776
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methylpropyl)propanamide
CID 63089777
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
CID 63090825
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide
CID 63091735
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 55179521
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
CID 60665655
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate?
The IUPAC name of methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate (CID 63091357) is methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate.
What is the SMILES notation for methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate?
The canonical SMILES for methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate is CNC1CCc2c(OC(C)C(=O)OC)cccc21.
What is the InChIKey of methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate?
The InChIKey is HVHIKVZFMJTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(14(16)17-3)18-13-6-4-5-10-11(13)7-8-12(10)15-2/h4-6,9,12,15H,7-8H2,1-3H3.
What are the key properties of methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate?
methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate is sourced from PubChem (CID 63091357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).