ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate

C5H12N4O2 — CID 64868821

IUPACethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NN
InChIInChI=1S/C5H12N4O2/c1-2-11-4(10)3-8-5(6)9-7/h2-3,7H2,1H3,(H3,6,8,9)
InChIKeyLLHTVBQHVUKMGQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.67
Rot. Bonds3

About ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate

ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate (PubChem CID 64868821) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
PubChem CID64868821
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Nameethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
SMILESCCOC(=O)C/N=C(\N)NN
InChIInChI=1S/C5H12N4O2/c1-2-11-4(10)3-8-5(6)9-7/h2-3,7H2,1H3,(H3,6,8,9)
InChIKeyLLHTVBQHVUKMGQ-UHFFFAOYSA-N
XLogP-1.67
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1-aminoethylideneamino)acetate
CID 82651381
ethyl 2-[[amino-(5H-tetrazol-5-ylamino)methylidene]amino]acetate
CID 174437144
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
diethyl propanedioate;titanium
CID 174779178
ethyl 2-[bis(methylsulfanyl)methylideneamino]acetate
CID 10242231
diethyl 2-[[amino(hydrazinyl)methylidene]amino]propanedioate
CID 175233905
methyl 2-(1-ethoxyethylideneamino)acetate
CID 10986527
diethyl propanedioate;ethane
CID 123991095
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethoxycarbonyl 2-(diaminomethylideneamino)acetate
CID 174637837
ethyl 3-oxobutanoate;nitrous acid
CID 174806724
potassium;diethyl propanedioate;sulfanide
CID 159289328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate?
The IUPAC name of ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate (CID 64868821) is ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate is CCOC(=O)C/N=C(\N)NN.
What is the InChIKey of ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate?
The InChIKey is LLHTVBQHVUKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-2-11-4(10)3-8-5(6)9-7/h2-3,7H2,1H3,(H3,6,8,9).
What are the key properties of ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate?
ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate has a molecular weight of 160.18 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate is sourced from PubChem (CID 64868821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).