triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate

C13H23NO6 — CID 134927138

IUPACtriethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)C(C(=O)OCC)N(C)C
InChIInChI=1S/C13H23NO6/c1-6-18-11(15)9(12(16)19-7-2)10(14(4)5)13(17)20-8-3/h9-10H,6-8H2,1-5H3
InChIKeyZFXYNQRRABCBJQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.22
Rot. Bonds8

About triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate

triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate (PubChem CID 134927138) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate.

Molecular Properties

Compound Nametriethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
PubChem CID134927138
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Nametriethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)C(C(=O)OCC)N(C)C
InChIInChI=1S/C13H23NO6/c1-6-18-11(15)9(12(16)19-7-2)10(14(4)5)13(17)20-8-3/h9-10H,6-8H2,1-5H3
InChIKeyZFXYNQRRABCBJQ-UHFFFAOYSA-N
XLogP0.22
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
diethyl 2-(1-chlorobutyl)propanedioate
CID 174722210
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106
ethyl 2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323288
ethyl (2S)-2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323287
triethyl butane-1,1,2-tricarboxylate
CID 21331229
ethyl 3-(dimethylamino)butanoate
CID 3020377
(2R)-2-amino-4-ethoxy-3-ethoxycarbonyl-4-oxobutanoic acid
CID 101193624
ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
CID 168971540
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
2-O-tert-butyl 1-O,1-O-diethyl 2-(N-methylanilino)ethane-1,1,2-tricarboxylate
CID 102384054

Frequently Asked Questions

What is the IUPAC name of triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate?
The IUPAC name of triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate (CID 134927138) is triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate.
What is the SMILES notation for triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate?
The canonical SMILES for triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate is CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)N(C)C.
What is the InChIKey of triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate?
The InChIKey is ZFXYNQRRABCBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-6-18-11(15)9(12(16)19-7-2)10(14(4)5)13(17)20-8-3/h9-10H,6-8H2,1-5H3.
What are the key properties of triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate?
triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate has a molecular weight of 289.33 g/mol, XLogP of 0.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2-(dimethylamino)ethane-1,1,2-tricarboxylate is sourced from PubChem (CID 134927138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).