cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate

C19H23NO4 — CID 137462644

IUPACcyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCC1
InChIInChI=1S/C19H23NO4/c21-17(24-14-6-3-7-14)11-23-19(22)20-18-15-8-1-4-12(15)10-13-5-2-9-16(13)18/h10,14H,1-9,11H2,(H,20,22)
InChIKeyOXOHYRCWCVINFF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.31
Rot. Bonds4

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

cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (PubChem CID 137462644) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.

Molecular Properties

Compound Namecyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
PubChem CID137462644
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namecyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate
SMILESO=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCC1
InChIInChI=1S/C19H23NO4/c21-17(24-14-6-3-7-14)11-23-19(22)20-18-15-8-1-4-12(15)10-13-5-2-9-16(13)18/h10,14H,1-9,11H2,(H,20,22)
InChIKeyOXOHYRCWCVINFF-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The IUPAC name of cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate (CID 137462644) is cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate.
What is the SMILES notation for cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The canonical SMILES for cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is O=C(COC(=O)Nc1c2c(cc3c1CCC3)CCC2)OC1CCC1.
What is the InChIKey of cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
The InChIKey is OXOHYRCWCVINFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(24-14-6-3-7-14)11-23-19(22)20-18-15-8-1-4-12(15)10-13-5-2-9-16(13)18/h10,14H,1-9,11H2,(H,20,22).
What are the key properties of cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate?
cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate has a molecular weight of 329.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)acetate is sourced from PubChem (CID 137462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).