ethyl 2-(1-aminoethylideneamino)acetate

C6H12N2O2 — CID 82651381

IUPACethyl 2-(1-aminoethylideneamino)acetate
SMILESCCOC(=O)C/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-3-10-6(9)4-8-5(2)7/h3-4H2,1-2H3,(H2,7,8)
InChIKeyZHKLJCHNJPMIRT-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.07
Rot. Bonds3

About ethyl 2-(1-aminoethylideneamino)acetate

ethyl 2-(1-aminoethylideneamino)acetate (PubChem CID 82651381) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl 2-(1-aminoethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-aminoethylideneamino)acetate
PubChem CID82651381
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethyl 2-(1-aminoethylideneamino)acetate
SMILESCCOC(=O)C/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-3-10-6(9)4-8-5(2)7/h3-4H2,1-2H3,(H2,7,8)
InChIKeyZHKLJCHNJPMIRT-UHFFFAOYSA-N
XLogP-0.07
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetic acid; morpholin-3-imine
CID 69049962
Methyl 2-guanidinoacetate
CID 11332686
Ethyl 2-amino-2-(cyanomethylimino)acetate
CID 13621057
Ethyl 2-(aminomethylideneamino)acetate
CID 177857118
Ethyl 2-[(1-amino-2,2,2-trichloroethylidene)amino]acetate
CID 12918126
Methyl 2-[(1-amino-2-chloroethylidene)amino]acetate
CID 16361229
2-(Diaminomethylideneamino)ethyl acetate
CID 18681264
2-(1-Aminoethylideneamino)ethyl acetate
CID 18952322
Ethyl 2-amino-2-ethyliminoacetate
CID 55300397
[(2R)-1-amino-1-methyliminopropan-2-yl] acetate
CID 57780613
Ethyl 2-guanidinoacetate
CID 62359530
(1-Amino-1-methyliminopropan-2-yl) acetate
CID 76603769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminoethylideneamino)acetate?
The IUPAC name of ethyl 2-(1-aminoethylideneamino)acetate (CID 82651381) is ethyl 2-(1-aminoethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(1-aminoethylideneamino)acetate?
The canonical SMILES for ethyl 2-(1-aminoethylideneamino)acetate is CCOC(=O)C/N=C(\C)N.
What is the InChIKey of ethyl 2-(1-aminoethylideneamino)acetate?
The InChIKey is ZHKLJCHNJPMIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-10-6(9)4-8-5(2)7/h3-4H2,1-2H3,(H2,7,8).
What are the key properties of ethyl 2-(1-aminoethylideneamino)acetate?
ethyl 2-(1-aminoethylideneamino)acetate has a molecular weight of 144.17 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminoethylideneamino)acetate is sourced from PubChem (CID 82651381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).