1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate

C12H19NO6 — CID 19063417

IUPAC1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate
SMILESC=C(C)C(=O)NCC(C)OC(=O)OC(C)OC(C)=O
InChIInChI=1S/C12H19NO6/c1-7(2)11(15)13-6-8(3)17-12(16)19-10(5)18-9(4)14/h8,10H,1,6H2,2-5H3,(H,13,15)
InChIKeyRGPYVAUWRFGVHX-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.13
Rot. Bonds6

About 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate

1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate (PubChem CID 19063417) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate
PubChem CID19063417
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate
SMILESC=C(C)C(=O)NCC(C)OC(=O)OC(C)OC(C)=O
InChIInChI=1S/C12H19NO6/c1-7(2)11(15)13-6-8(3)17-12(16)19-10(5)18-9(4)14/h8,10H,1,6H2,2-5H3,(H,13,15)
InChIKeyRGPYVAUWRFGVHX-UHFFFAOYSA-N
XLogP1.13
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate?
The IUPAC name of 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate (CID 19063417) is 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate?
The canonical SMILES for 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate is C=C(C)C(=O)NCC(C)OC(=O)OC(C)OC(C)=O.
What is the InChIKey of 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate?
The InChIKey is RGPYVAUWRFGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-7(2)11(15)13-6-8(3)17-12(16)19-10(5)18-9(4)14/h8,10H,1,6H2,2-5H3,(H,13,15).
What are the key properties of 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate?
1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate has a molecular weight of 273.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoylamino)propan-2-yloxycarbonyloxy]ethyl acetate is sourced from PubChem (CID 19063417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).