[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate

C15H25NO5 — CID 134869494

IUPAC[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
SMILESCC(=O)C/C=C\C(OC(C)=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m1/s1
InChIKeyOUBBDAMAUNOKIY-KPKLLWFGSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds6

About [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate

[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate (PubChem CID 134869494) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
PubChem CID134869494
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
SMILESCC(=O)C/C=C\C(OC(C)=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m1/s1
InChIKeyOUBBDAMAUNOKIY-KPKLLWFGSA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
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,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The IUPAC name of [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate (CID 134869494) is [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate.
What is the SMILES notation for [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The canonical SMILES for [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate is CC(=O)C/C=C\C(OC(C)=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
The InChIKey is OUBBDAMAUNOKIY-KPKLLWFGSA-N. The full InChI is InChI=1S/C15H25NO5/c1-10(17)8-7-9-13(20-12(3)18)11(2)16-14(19)21-15(4,5)6/h7,9,11,13H,8H2,1-6H3,(H,16,19)/b9-7-/t11-,13?/m1/s1.
What are the key properties of [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate?
[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate has a molecular weight of 299.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate is sourced from PubChem (CID 134869494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).