methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate

C18H24N2O3 — CID 162651443

IUPACmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-18(2,16(21)23-3)20-17(22)19-15-13-8-4-6-11(13)10-12-7-5-9-14(12)15/h10H,4-9H2,1-3H3,(H2,19,20,22)
InChIKeyRSSGOEHWONBEKT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate

methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate (PubChem CID 162651443) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate
PubChem CID162651443
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-18(2,16(21)23-3)20-17(22)19-15-13-8-4-6-11(13)10-12-7-5-9-14(12)15/h10H,4-9H2,1-3H3,(H2,19,20,22)
InChIKeyRSSGOEHWONBEKT-UHFFFAOYSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate 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 methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate (CID 162651443) is methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate?
The InChIKey is RSSGOEHWONBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,16(21)23-3)20-17(22)19-15-13-8-4-6-11(13)10-12-7-5-9-14(12)15/h10H,4-9H2,1-3H3,(H2,19,20,22).
What are the key properties of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate?
methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate has a molecular weight of 316.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate is sourced from PubChem (CID 162651443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).