[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate

C5H9N5O2 — CID 141331933

IUPAC[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate
SMILESC=N/C(N)=N/C(N)=N/OC(C)=O
InChIInChI=1S/C5H9N5O2/c1-3(11)12-10-5(7)9-4(6)8-2/h2H2,1H3,(H4,6,7,9,10)
InChIKeyINHXPWRMAZTTRI-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.21
Rot. Bonds1

About [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate

[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate (PubChem CID 141331933) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate
PubChem CID141331933
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate
SMILESC=N/C(N)=N/C(N)=N/OC(C)=O
InChIInChI=1S/C5H9N5O2/c1-3(11)12-10-5(7)9-4(6)8-2/h2H2,1H3,(H4,6,7,9,10)
InChIKeyINHXPWRMAZTTRI-UHFFFAOYSA-N
XLogP-1.21
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 162314144
CID 162314144
[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
CID 173073791
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
(1-ethoxypropylideneamino) acetate
CID 157010726
N-[amino-(methylideneamino)methylidene]-N'-methylcarbamimidoyl chloride
CID 175633595
acetamide;alumane
CID 174673000
[(E)-(4-methyl-3-oxopentan-2-ylidene)amino] acetate
CID 162411014
[(E)-nonan-2-ylideneamino] acetate
CID 87079098
ethyl (2E)-2-acetyloxyimino-3-oxobutanoate
CID 5355495
[(E)-[amino-(dioctylamino)methylidene]amino] acetate
CID 141045038
[(E)-1,2-bis(methylideneamino)ethenyl] acetate
CID 143985283

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate?
The IUPAC name of [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate (CID 141331933) is [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate.
What is the SMILES notation for [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate?
The canonical SMILES for [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate is C=N/C(N)=N/C(N)=N/OC(C)=O.
What is the InChIKey of [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate?
The InChIKey is INHXPWRMAZTTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-3(11)12-10-5(7)9-4(6)8-2/h2H2,1H3,(H4,6,7,9,10).
What are the key properties of [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate?
[(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate has a molecular weight of 171.16 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-[(E)-[amino-(methylideneamino)methylidene]amino]methylidene]amino] acetate is sourced from PubChem (CID 141331933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).