tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate

C15H27NO2 — CID 13239734

IUPACtert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC1CC2CCCCC2C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)18-14(17)10-16-13-8-11-6-4-5-7-12(11)9-13/h11-13,16H,4-10H2,1-3H3
InChIKeyJSORCJMTZJLLHL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds3

About tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate

tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate (PubChem CID 13239734) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate
PubChem CID13239734
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate
SMILESCC(C)(C)OC(=O)CNC1CC2CCCCC2C1
InChIInChI=1S/C15H27NO2/c1-15(2,3)18-14(17)10-16-13-8-11-6-4-5-7-12(11)9-13/h11-13,16H,4-10H2,1-3H3
InChIKeyJSORCJMTZJLLHL-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate?
The IUPAC name of tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate (CID 13239734) is tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate?
The canonical SMILES for tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate is CC(C)(C)OC(=O)CNC1CC2CCCCC2C1.
What is the InChIKey of tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate?
The InChIKey is JSORCJMTZJLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)18-14(17)10-16-13-8-11-6-4-5-7-12(11)9-13/h11-13,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate?
tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate has a molecular weight of 253.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ylamino)acetate is sourced from PubChem (CID 13239734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).