[(Z)-but-2-enyl] 2-(methylamino)acetate

C7H13NO2 — CID 139540657

IUPAC[(Z)-but-2-enyl] 2-(methylamino)acetate
SMILESC/C=C\COC(=O)CNC
InChIInChI=1S/C7H13NO2/c1-3-4-5-10-7(9)6-8-2/h3-4,8H,5-6H2,1-2H3/b4-3-
InChIKeyBZISUEGJHCUZFD-ARJAWSKDSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds4

About [(Z)-but-2-enyl] 2-(methylamino)acetate

[(Z)-but-2-enyl] 2-(methylamino)acetate (PubChem CID 139540657) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(Z)-but-2-enyl] 2-(methylamino)acetate.

Molecular Properties

Compound Name[(Z)-but-2-enyl] 2-(methylamino)acetate
PubChem CID139540657
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(Z)-but-2-enyl] 2-(methylamino)acetate
SMILESC/C=C\COC(=O)CNC
InChIInChI=1S/C7H13NO2/c1-3-4-5-10-7(9)6-8-2/h3-4,8H,5-6H2,1-2H3/b4-3-
InChIKeyBZISUEGJHCUZFD-ARJAWSKDSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-enyl] 2-(methylamino)acetate?
The IUPAC name of [(Z)-but-2-enyl] 2-(methylamino)acetate (CID 139540657) is [(Z)-but-2-enyl] 2-(methylamino)acetate.
What is the SMILES notation for [(Z)-but-2-enyl] 2-(methylamino)acetate?
The canonical SMILES for [(Z)-but-2-enyl] 2-(methylamino)acetate is C/C=C\COC(=O)CNC.
What is the InChIKey of [(Z)-but-2-enyl] 2-(methylamino)acetate?
The InChIKey is BZISUEGJHCUZFD-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-10-7(9)6-8-2/h3-4,8H,5-6H2,1-2H3/b4-3-.
What are the key properties of [(Z)-but-2-enyl] 2-(methylamino)acetate?
[(Z)-but-2-enyl] 2-(methylamino)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enyl] 2-(methylamino)acetate is sourced from PubChem (CID 139540657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).