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

C16H20N2O3 — CID 146503703

IUPACmethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C16H20N2O3/c1-21-14(19)9-17-16(20)18-15-12-6-2-4-10(12)8-11-5-3-7-13(11)15/h8H,2-7,9H2,1H3,(H2,17,18,20)
InChIKeyGPEUSHWTEKFXMA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.96
Rot. Bonds3

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

methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (PubChem CID 146503703) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
PubChem CID146503703
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C16H20N2O3/c1-21-14(19)9-17-16(20)18-15-12-6-2-4-10(12)8-11-5-3-7-13(11)15/h8H,2-7,9H2,1H3,(H2,17,18,20)
InChIKeyGPEUSHWTEKFXMA-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (CID 146503703) is methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate is COC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The InChIKey is GPEUSHWTEKFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-14(19)9-17-16(20)18-15-12-6-2-4-10(12)8-11-5-3-7-13(11)15/h8H,2-7,9H2,1H3,(H2,17,18,20).
What are the key properties of methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate has a molecular weight of 288.35 g/mol, XLogP of 1.96, 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)acetate is sourced from PubChem (CID 146503703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).