[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H19NO5 — CID 14106680

IUPAC[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C\CO
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-9(14)16-7-5-4-6-13/h4-5,13H,6-8H2,1-3H3,(H,12,15)/b5-4-
InChIKeyQEOZOPGTUNNICJ-PLNGDYQASA-N
MW245.27 g/mol
LogP0.60
Rot. Bonds5

About [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 14106680) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID14106680
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C\CO
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-9(14)16-7-5-4-6-13/h4-5,13H,6-8H2,1-3H3,(H,12,15)/b5-4-
InChIKeyQEOZOPGTUNNICJ-PLNGDYQASA-N
XLogP0.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 14106680) is [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OC/C=C\CO.
What is the InChIKey of [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is QEOZOPGTUNNICJ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-9(14)16-7-5-4-6-13/h4-5,13H,6-8H2,1-3H3,(H,12,15)/b5-4-.
What are the key properties of [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 245.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 14106680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).