propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate

C18H24N2O3 — CID 135331246

IUPACpropan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-11(2)23-16(21)10-19-18(22)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h9,11H,3-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyJBKFPHCJSNRZFS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.74
Rot. Bonds4

About propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate

propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (PubChem CID 135331246) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
PubChem CID135331246
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namepropan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-11(2)23-16(21)10-19-18(22)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h9,11H,3-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyJBKFPHCJSNRZFS-UHFFFAOYSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The IUPAC name of propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (CID 135331246) is propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.
What is the SMILES notation for propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The canonical SMILES for propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate is CC(C)OC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The InChIKey is JBKFPHCJSNRZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(2)23-16(21)10-19-18(22)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h9,11H,3-8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate has a molecular weight of 316.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate is sourced from PubChem (CID 135331246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).