ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate

C19H25NO5 — CID 137463053

IUPACethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate
SMILESCCOC(=O)C(COC)OC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H25NO5/c1-3-24-18(21)16(11-23-2)25-19(22)20-17-14-8-4-6-12(14)10-13-7-5-9-15(13)17/h10,16H,3-9,11H2,1-2H3,(H,20,22)
InChIKeyXYLDRHPIEUMUFH-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate

ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate (PubChem CID 137463053) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate
PubChem CID137463053
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate
SMILESCCOC(=O)C(COC)OC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C19H25NO5/c1-3-24-18(21)16(11-23-2)25-19(22)20-17-14-8-4-6-12(14)10-13-7-5-9-15(13)17/h10,16H,3-9,11H2,1-2H3,(H,20,22)
InChIKeyXYLDRHPIEUMUFH-UHFFFAOYSA-N
XLogP2.79
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate (CID 137463053) is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate is CCOC(=O)C(COC)OC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate?
The InChIKey is XYLDRHPIEUMUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-24-18(21)16(11-23-2)25-19(22)20-17-14-8-4-6-12(14)10-13-7-5-9-15(13)17/h10,16H,3-9,11H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate?
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate has a molecular weight of 347.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-methoxypropanoate is sourced from PubChem (CID 137463053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).