methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate

C13H17NO2 — CID 56811071

IUPACmethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-14(9-13(15)16-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3
InChIKeyAQPPLEVCNSGEFW-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate

methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate (PubChem CID 56811071) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
PubChem CID56811071
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-14(9-13(15)16-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3
InChIKeyAQPPLEVCNSGEFW-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
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Ethyl 2-[benzyl(methyl)amino]acetate
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(Benzyl-methyl-amino)-acetic acid methyl ester
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate (CID 56811071) is methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate is COC(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
The InChIKey is AQPPLEVCNSGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(9-13(15)16-2)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate?
methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate has a molecular weight of 219.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate is sourced from PubChem (CID 56811071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).