methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate

C9H19N3O3 — CID 110930535

IUPACmethyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
SMILESCOCCN/C(N)=N/CC(C)C(=O)OC
InChIInChI=1S/C9H19N3O3/c1-7(8(13)15-3)6-12-9(10)11-4-5-14-2/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyHEODTZBNKYQYIT-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.65
Rot. Bonds6

About methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate

methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate (PubChem CID 110930535) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
PubChem CID110930535
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Namemethyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
SMILESCOCCN/C(N)=N/CC(C)C(=O)OC
InChIInChI=1S/C9H19N3O3/c1-7(8(13)15-3)6-12-9(10)11-4-5-14-2/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyHEODTZBNKYQYIT-UHFFFAOYSA-N
XLogP-0.65
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
propan-2-yl 2-amino-4-[[amino-(2-methoxyethylamino)methylidene]amino]butanoate
CID 73080289
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196
1-(2-methoxyethyl)-2-[2-(4-methylphenoxy)propyl]guanidine;hydroiodide
CID 111465520
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369
methyl 3-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111896794
methyl 3-[bis(ethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
CID 110930532
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate (CID 110930535) is methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate is COCCN/C(N)=N/CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate?
The InChIKey is HEODTZBNKYQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(8(13)15-3)6-12-9(10)11-4-5-14-2/h7H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate?
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate has a molecular weight of 217.27 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate is sourced from PubChem (CID 110930535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).