1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate

C13H23NO5 — CID 88663441

IUPAC1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC(C)O)C(=O)OC(C)N(CC)CC
InChIInChI=1S/C13H23NO5/c1-6-14(7-2)10(4)18-13(17)9(3)8-12(16)19-11(5)15/h10-11,15H,3,6-8H2,1-2,4-5H3
InChIKeyWDDWYYHLJZILMT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.05
Rot. Bonds8

About 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate

1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate (PubChem CID 88663441) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Name1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate
PubChem CID88663441
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OC(C)O)C(=O)OC(C)N(CC)CC
InChIInChI=1S/C13H23NO5/c1-6-14(7-2)10(4)18-13(17)9(3)8-12(16)19-11(5)15/h10-11,15H,3,6-8H2,1-2,4-5H3
InChIKeyWDDWYYHLJZILMT-UHFFFAOYSA-N
XLogP1.05
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.05
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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Related Compounds

butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate
CID 88730169
1-(diethylamino)ethyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)but-2-enoate
CID 142722162
1-(diethylamino)ethyl acetate;hydrochloride
CID 175006388
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
1-hydroxyethyl 4-methyl-2-methylidenepentanoate
CID 175422491
1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 4-O-propan-2-yl 2-methylidenebutanedioate
CID 139842361
4-O-(2-ethylhexyl) 1-O-propan-2-yl 2-methylidenebutanedioate
CID 139842373
1-(diethylamino)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 174820807
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732
bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yl) 2-methylidenebutanedioate
CID 54006239
1-O-(1-methoxypropan-2-yl) 4-O-octyl 2-methylidenebutanedioate
CID 155255429

Frequently Asked Questions

What is the IUPAC name of 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate?
The IUPAC name of 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate (CID 88663441) is 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate.
What is the SMILES notation for 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate?
The canonical SMILES for 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate is C=C(CC(=O)OC(C)O)C(=O)OC(C)N(CC)CC.
What is the InChIKey of 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate?
The InChIKey is WDDWYYHLJZILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-6-14(7-2)10(4)18-13(17)9(3)8-12(16)19-11(5)15/h10-11,15H,3,6-8H2,1-2,4-5H3.
What are the key properties of 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate?
1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate has a molecular weight of 273.33 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[1-(diethylamino)ethyl] 4-O-(1-hydroxyethyl) 2-methylidenebutanedioate is sourced from PubChem (CID 88663441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).