[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

C12H20N2O5 — CID 20659299

IUPAC[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C12H20N2O5/c1-4-11(16)18-7-5-10(15)13-9-12(17)19-8-6-14(2)3/h4H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGYOYPZBCAJJMSN-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.67
Rot. Bonds9

About [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate

[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (PubChem CID 20659299) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
PubChem CID20659299
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
SMILESC=CC(=O)OCCC(=O)NCC(=O)OCCN(C)C
InChIInChI=1S/C12H20N2O5/c1-4-11(16)18-7-5-10(15)13-9-12(17)19-8-6-14(2)3/h4H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyGYOYPZBCAJJMSN-UHFFFAOYSA-N
XLogP-0.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.67
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-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The IUPAC name of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate (CID 20659299) is [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate.
What is the SMILES notation for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The canonical SMILES for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is C=CC(=O)OCCC(=O)NCC(=O)OCCN(C)C.
What is the InChIKey of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
The InChIKey is GYOYPZBCAJJMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-4-11(16)18-7-5-10(15)13-9-12(17)19-8-6-14(2)3/h4H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate?
[3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of -0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[2-(dimethylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate is sourced from PubChem (CID 20659299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).