methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate

C9H15NO4 — CID 57320849

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCOC(=O)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1-5H3
InChIKeyRYETUKCHUXJMHO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.56
Rot. Bonds1

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

methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (PubChem CID 57320849) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
PubChem CID57320849
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
SMILESCOC(=O)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1-5H3
InChIKeyRYETUKCHUXJMHO-UHFFFAOYSA-N
XLogP1.56
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.56
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

2-(tert-Butoxycarbonylimino)-3,3,3-trifluoropropanoic acid methyl ester
CID 2759830
Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate
CID 5706512
methyl (2Z)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 6197808
methyl (2E)-3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 10752337
methyl (2Z)-3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 11075451
ethyl (2Z)-3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 133620463
2-[(2-Methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 56608131
Ethyl 2-ethoxycarbonyliminopropanoate
CID 56989318
Methyl 2-butoxycarbonyliminopropanoate
CID 56993207
Methyl 2-methoxycarbonyliminopropanoate
CID 57054474
Methyl 2-ethoxycarbonyliminopropanoate
CID 57155556
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
CID 91017919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate (CID 57320849) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is COC(=O)C(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
The InChIKey is RYETUKCHUXJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1-5H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate has a molecular weight of 201.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate is sourced from PubChem (CID 57320849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).