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

C17H22N2O3 — CID 146503722

IUPACethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C17H22N2O3/c1-2-22-15(20)10-18-17(21)19-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9H,2-8,10H2,1H3,(H2,18,19,21)
InChIKeyDUULATIXSCXERO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (PubChem CID 146503722) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
PubChem CID146503722
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C17H22N2O3/c1-2-22-15(20)10-18-17(21)19-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9H,2-8,10H2,1H3,(H2,18,19,21)
InChIKeyDUULATIXSCXERO-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-3-(4-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)propanoate
CID 135331242
Propan-2-yl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
CID 135331246
Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate
CID 146503703
methyl (2R)-3-(3-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)propanoate
CID 146503710
ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate
CID 146503745
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
CID 146503750
Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
CID 146503681
2-(1,2,3,5,6,7-Hexahydro-s-indacen-4-ylcarbamoylamino)acetic acid
CID 146503716
methyl (2S)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-phenylpropanoate
CID 146558903
4-Morpholineacetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride
CID 3069953
Ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate
CID 4987937
Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-2-methylpropanoate
CID 162651443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate (CID 146503722) is ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
The InChIKey is DUULATIXSCXERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-22-15(20)10-18-17(21)19-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9H,2-8,10H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate?
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate has a molecular weight of 302.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)acetate is sourced from PubChem (CID 146503722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).