methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate

C7H10N2O3 — CID 123443598

IUPACmethyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
SMILESC=NC(=C)C(=O)NCC(=O)OC
InChIInChI=1S/C7H10N2O3/c1-5(8-2)7(11)9-4-6(10)12-3/h1-2,4H2,3H3,(H,9,11)
InChIKeyIJKRMWLGJYSEQT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.51
Rot. Bonds4

About methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate

methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate (PubChem CID 123443598) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
PubChem CID123443598
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
SMILESC=NC(=C)C(=O)NCC(=O)OC
InChIInChI=1S/C7H10N2O3/c1-5(8-2)7(11)9-4-6(10)12-3/h1-2,4H2,3H3,(H,9,11)
InChIKeyIJKRMWLGJYSEQT-UHFFFAOYSA-N
XLogP-0.51
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Methylideneamino)prop-2-enoylamino]acetic acid
CID 123745862
methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
CID 170789910
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 43623303
methyl 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 43623356
methyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 54998417
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate
CID 55005717
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate
CID 55005850
methyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 55138200
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 60817245
methyl 2-[(2-methoxy-2-oxoethyl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 62954144
methyl 2-[[(Z)-2-(methylamino)but-2-enoyl]amino]acetate
CID 144797933
Methyl 2-[2-(methylamino)prop-2-enoylamino]prop-2-enoate
CID 170970051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate?
The IUPAC name of methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate (CID 123443598) is methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate.
What is the SMILES notation for methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate?
The canonical SMILES for methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate is C=NC(=C)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate?
The InChIKey is IJKRMWLGJYSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(8-2)7(11)9-4-6(10)12-3/h1-2,4H2,3H3,(H,9,11).
What are the key properties of methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate?
methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate has a molecular weight of 170.17 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate is sourced from PubChem (CID 123443598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).