methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate

C8H13N3O3 — CID 170789910

IUPACmethyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
SMILESC/C=N/C=C(/N)C(=O)NCC(=O)OC
InChIInChI=1S/C8H13N3O3/c1-3-10-4-6(9)8(13)11-5-7(12)14-2/h3-4H,5,9H2,1-2H3,(H,11,13)/b6-4+,10-3+
InChIKeyZGUVEKNHCHKROV-NQTSTVBXSA-N
MW199.21 g/mol
LogP-0.83
Rot. Bonds4

About methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate

methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate (PubChem CID 170789910) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
PubChem CID170789910
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
SMILESC/C=N/C=C(/N)C(=O)NCC(=O)OC
InChIInChI=1S/C8H13N3O3/c1-3-10-4-6(9)8(13)11-5-7(12)14-2/h3-4H,5,9H2,1-2H3,(H,11,13)/b6-4+,10-3+
InChIKeyZGUVEKNHCHKROV-NQTSTVBXSA-N
XLogP-0.83
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[2-(methylideneamino)prop-2-enoylamino]acetate
CID 123443598
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
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
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetate
CID 54896540
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)-propylamino]acetate
CID 54899056
ethyl 2-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 54900512
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 54960649
2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54969138
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate?
The IUPAC name of methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate (CID 170789910) is methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate is C/C=N/C=C(/N)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate?
The InChIKey is ZGUVEKNHCHKROV-NQTSTVBXSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-10-4-6(9)8(13)11-5-7(12)14-2/h3-4H,5,9H2,1-2H3,(H,11,13)/b6-4+,10-3+.
What are the key properties of methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate?
methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate has a molecular weight of 199.21 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate is sourced from PubChem (CID 170789910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).