but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H19NO4 — CID 72770614

IUPACbut-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=CC(C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-8(2)15-9(13)7-12-10(14)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,12,14)
InChIKeyCXLNNMYDGZPNLC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds4

About but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 72770614) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namebut-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID72770614
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namebut-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=CC(C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-8(2)15-9(13)7-12-10(14)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,12,14)
InChIKeyCXLNNMYDGZPNLC-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 72770614) is but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C=CC(C)OC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is CXLNNMYDGZPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-8(2)15-9(13)7-12-10(14)16-11(3,4)5/h6,8H,1,7H2,2-5H3,(H,12,14).
What are the key properties of but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 72770614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).