diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate

C8H16N4O4 — CID 175233905

IUPACdiethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
SMILESCCOC(=O)C(/N=C(\N)NN)C(=O)OCC
InChIInChI=1S/C8H16N4O4/c1-3-15-6(13)5(7(14)16-4-2)11-8(9)12-10/h5H,3-4,10H2,1-2H3,(H3,9,11,12)
InChIKeyCPMADVPLPOVACC-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.74
Rot. Bonds5

About diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate

diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate (PubChem CID 175233905) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
PubChem CID175233905
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Namediethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
SMILESCCOC(=O)C(/N=C(\N)NN)C(=O)OCC
InChIInChI=1S/C8H16N4O4/c1-3-15-6(13)5(7(14)16-4-2)11-8(9)12-10/h5H,3-4,10H2,1-2H3,(H3,9,11,12)
InChIKeyCPMADVPLPOVACC-UHFFFAOYSA-N
XLogP-1.74
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
CID 64868821
2-[[amino(hydrazinyl)methylidene]amino]propanamide
CID 64867512
ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
ethyl 2-methylpropanoate;2-methylpropanehydrazide
CID 159155209
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
2-[[amino-(ethoxycarbonylamino)methylidene]amino]pentanoic acid
CID 143710214
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
CID 174947834
diethyl propanedioate;titanium
CID 174779178
pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate
CID 173236430
2-(1-ethoxypropan-2-yl)-1-hydroxyguanidine
CID 62482092

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate?
The IUPAC name of diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate (CID 175233905) is diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate?
The canonical SMILES for diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate is CCOC(=O)C(/N=C(\N)NN)C(=O)OCC.
What is the InChIKey of diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate?
The InChIKey is CPMADVPLPOVACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4/c1-3-15-6(13)5(7(14)16-4-2)11-8(9)12-10/h5H,3-4,10H2,1-2H3,(H3,9,11,12).
What are the key properties of diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate?
diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate has a molecular weight of 232.24 g/mol, XLogP of -1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate is sourced from PubChem (CID 175233905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).