methyl 2-(aminomethylideneamino)acetate

C4H8N2O2 — CID 55287444

IUPACmethyl 2-(aminomethylideneamino)acetate
SMILESCOC(=O)C/N=C/N
InChIInChI=1S/C4H8N2O2/c1-8-4(7)2-6-3-5/h3H,2H2,1H3,(H2,5,6)
InChIKeyWVFPWZBAKJHSMM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.85
Rot. Bonds2

About methyl 2-(aminomethylideneamino)acetate

methyl 2-(aminomethylideneamino)acetate (PubChem CID 55287444) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl 2-(aminomethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(aminomethylideneamino)acetate
PubChem CID55287444
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Namemethyl 2-(aminomethylideneamino)acetate
SMILESCOC(=O)C/N=C/N
InChIInChI=1S/C4H8N2O2/c1-8-4(7)2-6-3-5/h3H,2H2,1H3,(H2,5,6)
InChIKeyWVFPWZBAKJHSMM-UHFFFAOYSA-N
XLogP-0.85
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.85
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

(Dimethylamino-methyleneamino)-acetic acid methyl ester
CID 12681099
Methyl 2-guanidinoacetate
CID 11332686
Ethyl 2-(aminomethylideneamino)acetate
CID 177857118
Methyl 2-(diaminomethylideneamino)acetate;hydrochloride
CID 11332685
2-(Diaminomethylideneamino)ethyl acetate
CID 18681264
(2-Methoxy-2-oxoethyl)-methylideneazanium
CID 20726648
Tert-butyl 2-(aminomethylideneamino)acetate
CID 23080317
Methyl 2-(diaminomethylideneamino)propanoate
CID 23340189
Methyl 2-(methyliminomethylideneamino)acetate
CID 57905624
Ethyl 2-guanidinoacetate
CID 62359530
N-(2-Methoxyethyl)guanidine acetate
CID 75530796
Propyl 2-(diaminomethylideneamino)acetate
CID 87622328

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethylideneamino)acetate?
The IUPAC name of methyl 2-(aminomethylideneamino)acetate (CID 55287444) is methyl 2-(aminomethylideneamino)acetate.
What is the SMILES notation for methyl 2-(aminomethylideneamino)acetate?
The canonical SMILES for methyl 2-(aminomethylideneamino)acetate is COC(=O)C/N=C/N.
What is the InChIKey of methyl 2-(aminomethylideneamino)acetate?
The InChIKey is WVFPWZBAKJHSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-8-4(7)2-6-3-5/h3H,2H2,1H3,(H2,5,6).
What are the key properties of methyl 2-(aminomethylideneamino)acetate?
methyl 2-(aminomethylideneamino)acetate has a molecular weight of 116.12 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethylideneamino)acetate is sourced from PubChem (CID 55287444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).