methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate

C7H14N2O2 — CID 146362939

IUPACmethyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate
SMILESC/C=N\N(C)CCC(=O)OC
InChIInChI=1S/C7H14N2O2/c1-4-8-9(2)6-5-7(10)11-3/h4H,5-6H2,1-3H3/b8-4-
InChIKeyHZABZELTORLNMY-YWEYNIOJSA-N
MW158.20 g/mol
LogP0.49
Rot. Bonds4

About methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate

methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate (PubChem CID 146362939) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate
PubChem CID146362939
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate
SMILESC/C=N\N(C)CCC(=O)OC
InChIInChI=1S/C7H14N2O2/c1-4-8-9(2)6-5-7(10)11-3/h4H,5-6H2,1-3H3/b8-4-
InChIKeyHZABZELTORLNMY-YWEYNIOJSA-N
XLogP0.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate?
The IUPAC name of methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate (CID 146362939) is methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate is C/C=N\N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate?
The InChIKey is HZABZELTORLNMY-YWEYNIOJSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-8-9(2)6-5-7(10)11-3/h4H,5-6H2,1-3H3/b8-4-.
What are the key properties of methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate?
methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate has a molecular weight of 158.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(Z)-ethylideneamino]-methylamino]propanoate is sourced from PubChem (CID 146362939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).