ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate

C11H21N3O4 — CID 123532009

IUPACethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
SMILESCCOC(=O)C(CNC)=NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-6-17-9(15)8(7-12-5)13-14-10(16)18-11(2,3)4/h12H,6-7H2,1-5H3,(H,14,16)
InChIKeyDPEWJIWXXFUMFN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.65
Rot. Bonds5

About ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate

ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate (PubChem CID 123532009) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
PubChem CID123532009
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
SMILESCCOC(=O)C(CNC)=NNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O4/c1-6-17-9(15)8(7-12-5)13-14-10(16)18-11(2,3)4/h12H,6-7H2,1-5H3,(H,14,16)
InChIKeyDPEWJIWXXFUMFN-UHFFFAOYSA-N
XLogP0.65
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123875399
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
CID 88925296
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 101049189
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 10633164
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 15458544
ethyl (E)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 102101774
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate?
The IUPAC name of ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate (CID 123532009) is ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate.
What is the SMILES notation for ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate?
The canonical SMILES for ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate is CCOC(=O)C(CNC)=NNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate?
The InChIKey is DPEWJIWXXFUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6-17-9(15)8(7-12-5)13-14-10(16)18-11(2,3)4/h12H,6-7H2,1-5H3,(H,14,16).
What are the key properties of ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate?
ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate has a molecular weight of 259.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate is sourced from PubChem (CID 123532009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).