[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate

C11H17NO5 — CID 163756418

IUPAC[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(N)(COC)COC(=O)C=C
InChIInChI=1S/C11H17NO5/c1-4-9(13)16-7-11(12,6-15-3)8-17-10(14)5-2/h4-5H,1-2,6-8,12H2,3H3
InChIKeyLULDOOPNJPITFO-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.21
Rot. Bonds8

About [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 163756418) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID163756418
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(N)(COC)COC(=O)C=C
InChIInChI=1S/C11H17NO5/c1-4-9(13)16-7-11(12,6-15-3)8-17-10(14)5-2/h4-5H,1-2,6-8,12H2,3H3
InChIKeyLULDOOPNJPITFO-UHFFFAOYSA-N
XLogP-0.21
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.21
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 [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 163756418) is [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(N)(COC)COC(=O)C=C.
What is the InChIKey of [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is LULDOOPNJPITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-4-9(13)16-7-11(12,6-15-3)8-17-10(14)5-2/h4-5H,1-2,6-8,12H2,3H3.
What are the key properties of [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate?
[2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 243.26 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(methoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 163756418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).