prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C10H17NO4 — CID 22157668

IUPACprop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=CCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-6-14-8(12)7-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyYPZUAHSQLHEOQR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.24
Rot. Bonds4

About prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 22157668) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID22157668
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameprop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC=CCOC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-5-6-14-8(12)7-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyYPZUAHSQLHEOQR-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.24
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 prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 22157668) is prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C=CCOC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is YPZUAHSQLHEOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-6-14-8(12)7-11-9(13)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13).
What are the key properties of prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 215.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 22157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).