methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate

C12H15NO2 — CID 14071505

IUPACmethyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(N)C2
InChIInChI=1S/C12H15NO2/c1-15-12(14)5-8-2-3-9-6-11(13)7-10(9)4-8/h2-4,11H,5-7,13H2,1H3
InChIKeyUWKOJKUYBSISJT-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.83
Rot. Bonds2

About methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate

methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 14071505) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID14071505
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CC(N)C2
InChIInChI=1S/C12H15NO2/c1-15-12(14)5-8-2-3-9-6-11(13)7-10(9)4-8/h2-4,11H,5-7,13H2,1H3
InChIKeyUWKOJKUYBSISJT-UHFFFAOYSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 54070173
methyl 2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)acetate
CID 70603938
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 139635533
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
ethyl 2-(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 139635532
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
methyl 2-(3-methyl-3,4-dihydro-2H-chromen-7-yl)acetate
CID 71166941
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate (CID 14071505) is methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate is COC(=O)Cc1ccc2c(c1)CC(N)C2.
What is the InChIKey of methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is UWKOJKUYBSISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)5-8-2-3-9-6-11(13)7-10(9)4-8/h2-4,11H,5-7,13H2,1H3.
What are the key properties of methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate?
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 14071505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).