methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate

C11H19NO4 — CID 22243128

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-7-12(8-9(13)15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyYNPJYWAVLAOOOG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.58
Rot. Bonds4

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate (PubChem CID 22243128) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate
PubChem CID22243128
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-6-7-12(8-9(13)15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3
InChIKeyYNPJYWAVLAOOOG-UHFFFAOYSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
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 methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate (CID 22243128) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate is C=CCN(CC(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate?
The InChIKey is YNPJYWAVLAOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-7-12(8-9(13)15-5)10(14)16-11(2,3)4/h6H,1,7-8H2,2-5H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate has a molecular weight of 229.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetate is sourced from PubChem (CID 22243128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).