methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate

C15H26N2O5 — CID 86817676

IUPACmethyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate
SMILESCCOC1CC(NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C
InChIInChI=1S/C15H26N2O5/c1-6-11(18)16-9-12(19)17-15(13(20)21-5)8-10(22-7-2)14(15,3)4/h10H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyCCPMSFMNVVONCH-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.38
Rot. Bonds7

About methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate

methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate (PubChem CID 86817676) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate
PubChem CID86817676
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Namemethyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate
SMILESCCOC1CC(NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C
InChIInChI=1S/C15H26N2O5/c1-6-11(18)16-9-12(19)17-15(13(20)21-5)8-10(22-7-2)14(15,3)4/h10H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyCCPMSFMNVVONCH-UHFFFAOYSA-N
XLogP0.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate (CID 86817676) is methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate is CCOC1CC(NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate?
The InChIKey is CCPMSFMNVVONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-6-11(18)16-9-12(19)17-15(13(20)21-5)8-10(22-7-2)14(15,3)4/h10H,6-9H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate?
methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-2,2-dimethyl-1-[[2-(propanoylamino)acetyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 86817676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).