(2-methylprop-2-enoylamino) 2-methoxyiminoacetate

C7H10N2O4 — CID 174478351

IUPAC(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
SMILESC=C(C)C(=O)NOC(=O)C=NOC
InChIInChI=1S/C7H10N2O4/c1-5(2)7(11)9-13-6(10)4-8-12-3/h4H,1H2,2-3H3,(H,9,11)
InChIKeySCXLCEKMMWROMZ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.23
Rot. Bonds3

About (2-methylprop-2-enoylamino) 2-methoxyiminoacetate

(2-methylprop-2-enoylamino) 2-methoxyiminoacetate (PubChem CID 174478351) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2-methylprop-2-enoylamino) 2-methoxyiminoacetate.

Molecular Properties

Compound Name(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
PubChem CID174478351
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2-methylprop-2-enoylamino) 2-methoxyiminoacetate
SMILESC=C(C)C(=O)NOC(=O)C=NOC
InChIInChI=1S/C7H10N2O4/c1-5(2)7(11)9-13-6(10)4-8-12-3/h4H,1H2,2-3H3,(H,9,11)
InChIKeySCXLCEKMMWROMZ-UHFFFAOYSA-N
XLogP-0.23
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylprop-2-enoylamino) carbonate
CID 174523368
2-methoxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;(2-methylprop-2-enoylamino) 2-methylprop-2-enoate
CID 10047362
N-ethenoxy-2-methylprop-2-enamide
CID 102118163
bis(2-methylprop-2-enoylamino) sulfate
CID 174631095
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
2-methyl-N-(prop-2-enoylamino)oxyprop-2-enamide
CID 143303309
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
CID 1268111
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
[3-hydroxy-2-[(2E)-2-methoxyiminoacetyl]oxypropyl] prop-2-enoate
CID 15702329
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
methyl (2E)-3,4-dimethylpenta-2,4-dienoate
CID 12685430

Frequently Asked Questions

What is the IUPAC name of (2-methylprop-2-enoylamino) 2-methoxyiminoacetate?
The IUPAC name of (2-methylprop-2-enoylamino) 2-methoxyiminoacetate (CID 174478351) is (2-methylprop-2-enoylamino) 2-methoxyiminoacetate.
What is the SMILES notation for (2-methylprop-2-enoylamino) 2-methoxyiminoacetate?
The canonical SMILES for (2-methylprop-2-enoylamino) 2-methoxyiminoacetate is C=C(C)C(=O)NOC(=O)C=NOC.
What is the InChIKey of (2-methylprop-2-enoylamino) 2-methoxyiminoacetate?
The InChIKey is SCXLCEKMMWROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-5(2)7(11)9-13-6(10)4-8-12-3/h4H,1H2,2-3H3,(H,9,11).
What are the key properties of (2-methylprop-2-enoylamino) 2-methoxyiminoacetate?
(2-methylprop-2-enoylamino) 2-methoxyiminoacetate has a molecular weight of 186.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylprop-2-enoylamino) 2-methoxyiminoacetate is sourced from PubChem (CID 174478351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).