methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate

C12H15NO2 — CID 23302032

IUPACmethyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate
SMILESCOC(=O)CNC1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-12(14)8-13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11,13H,6-8H2,1H3
InChIKeyMDDHPYSNIXNEBV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate

methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate (PubChem CID 23302032) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate
PubChem CID23302032
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate
SMILESCOC(=O)CNC1CCc2ccccc21
InChIInChI=1S/C12H15NO2/c1-15-12(14)8-13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11,13H,6-8H2,1H3
InChIKeyMDDHPYSNIXNEBV-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate (CID 23302032) is methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate is COC(=O)CNC1CCc2ccccc21.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate?
The InChIKey is MDDHPYSNIXNEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)8-13-11-7-6-9-4-2-3-5-10(9)11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate?
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 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-ylamino)acetate is sourced from PubChem (CID 23302032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).