ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate

C20H31NO5 — CID 67937205

IUPACethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate
SMILESCCOC(=O)CN(C1CCCC1)C1CC(=O)C2(OCC)C(C1=O)C2(C)C
InChIInChI=1S/C20H31NO5/c1-5-25-16(23)12-21(13-9-7-8-10-13)14-11-15(22)20(26-6-2)18(17(14)24)19(20,3)4/h13-14,18H,5-12H2,1-4H3
InChIKeyYJDVNJYCIGPDMG-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate

ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate (PubChem CID 67937205) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate
PubChem CID67937205
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Nameethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate
SMILESCCOC(=O)CN(C1CCCC1)C1CC(=O)C2(OCC)C(C1=O)C2(C)C
InChIInChI=1S/C20H31NO5/c1-5-25-16(23)12-21(13-9-7-8-10-13)14-11-15(22)20(26-6-2)18(17(14)24)19(20,3)4/h13-14,18H,5-12H2,1-4H3
InChIKeyYJDVNJYCIGPDMG-UHFFFAOYSA-N
XLogP2.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate (CID 67937205) is ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate is CCOC(=O)CN(C1CCCC1)C1CC(=O)C2(OCC)C(C1=O)C2(C)C.
What is the InChIKey of ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate?
The InChIKey is YJDVNJYCIGPDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-5-25-16(23)12-21(13-9-7-8-10-13)14-11-15(22)20(26-6-2)18(17(14)24)19(20,3)4/h13-14,18H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate?
ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate has a molecular weight of 365.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentyl-(6-ethoxy-7,7-dimethyl-2,5-dioxo-3-bicyclo[4.1.0]heptanyl)amino]acetate is sourced from PubChem (CID 67937205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).