[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

C12H19NO6 — CID 20643840

IUPAC[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)COC
InChIInChI=1S/C12H19NO6/c1-4-11(15)18-6-5-10(14)13-7-12(16)19-9(2)8-17-3/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyUBTIIQDWLIOMRJ-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.20
Rot. Bonds9

About [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20643840) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20643840
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OC(C)COC
InChIInChI=1S/C12H19NO6/c1-4-11(15)18-6-5-10(14)13-7-12(16)19-9(2)8-17-3/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyUBTIIQDWLIOMRJ-UHFFFAOYSA-N
XLogP-0.20
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20643840) is [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OC(C)COC.
What is the InChIKey of [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is UBTIIQDWLIOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-4-11(15)18-6-5-10(14)13-7-12(16)19-9(2)8-17-3/h4,9H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 273.28 g/mol, XLogP of -0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20643840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).