methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate

C11H18N2O4 — CID 123530982

IUPACmethyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
SMILESC/N=C(\C(=O)OC)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-7(8(12-5)9(14)16-6)13-10(15)17-11(2,3)4/h1-6H3/b12-8-,13-7?
InChIKeyVFAWSDJJUVZCPJ-MPFIZWPISA-N
MW242.27 g/mol
LogP1.63
Rot. Bonds2

About methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate

methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate (PubChem CID 123530982) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate.

Molecular Properties

Compound Namemethyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
PubChem CID123530982
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
SMILESC/N=C(\C(=O)OC)C(C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18N2O4/c1-7(8(12-5)9(14)16-6)13-10(15)17-11(2,3)4/h1-6H3/b12-8-,13-7?
InChIKeyVFAWSDJJUVZCPJ-MPFIZWPISA-N
XLogP1.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 57320849
2-[(2-Methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 58767451
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
CID 91017919
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 123501230
Propyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 123915598
Methyl 4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate
CID 163994460
ethyl (2E)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 126579783

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate?
The IUPAC name of methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate (CID 123530982) is methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate.
What is the SMILES notation for methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate?
The canonical SMILES for methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate is C/N=C(\C(=O)OC)C(C)=NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate?
The InChIKey is VFAWSDJJUVZCPJ-MPFIZWPISA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(8(12-5)9(14)16-6)13-10(15)17-11(2,3)4/h1-6H3/b12-8-,13-7?.
What are the key properties of methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate?
methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate has a molecular weight of 242.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylimino-3-[(2-methylpropan-2-yl)oxycarbonylimino]butanoate is sourced from PubChem (CID 123530982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).