methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate

C15H25NO4 — CID 90766210

IUPACmethyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCCC1(CC(=NC(=O)OC(C)(C)C)C(=O)OC)CCC1
InChIInChI=1S/C15H25NO4/c1-6-15(8-7-9-15)10-11(12(17)19-5)16-13(18)20-14(2,3)4/h6-10H2,1-5H3
InChIKeyICOLXHMNMRHONR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.51
Rot. Bonds4

About methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate

methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (PubChem CID 90766210) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
PubChem CID90766210
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCCC1(CC(=NC(=O)OC(C)(C)C)C(=O)OC)CCC1
InChIInChI=1S/C15H25NO4/c1-6-15(8-7-9-15)10-11(12(17)19-5)16-13(18)20-14(2,3)4/h6-10H2,1-5H3
InChIKeyICOLXHMNMRHONR-UHFFFAOYSA-N
XLogP3.51
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-(1-methylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 91385573
Methyl 3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 91608318
methyl (2Z)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylimino]hexanoate
CID 167455730

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The IUPAC name of methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (CID 90766210) is methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.
What is the SMILES notation for methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The canonical SMILES for methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is CCC1(CC(=NC(=O)OC(C)(C)C)C(=O)OC)CCC1.
What is the InChIKey of methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The InChIKey is ICOLXHMNMRHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-15(8-7-9-15)10-11(12(17)19-5)16-13(18)20-14(2,3)4/h6-10H2,1-5H3.
What are the key properties of methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate has a molecular weight of 283.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is sourced from PubChem (CID 90766210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).