ethyl 2,2-bis(dimethylamino)acetate

C8H18N2O2 — CID 11480748

IUPACethyl 2,2-bis(dimethylamino)acetate
SMILESCCOC(=O)C(N(C)C)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6-12-8(11)7(9(2)3)10(4)5/h7H,6H2,1-5H3
InChIKeyBNPKYJDTQKREKH-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.00
Rot. Bonds4

About ethyl 2,2-bis(dimethylamino)acetate

ethyl 2,2-bis(dimethylamino)acetate (PubChem CID 11480748) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 2,2-bis(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl 2,2-bis(dimethylamino)acetate
PubChem CID11480748
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethyl 2,2-bis(dimethylamino)acetate
SMILESCCOC(=O)C(N(C)C)N(C)C
InChIInChI=1S/C8H18N2O2/c1-6-12-8(11)7(9(2)3)10(4)5/h7H,6H2,1-5H3
InChIKeyBNPKYJDTQKREKH-UHFFFAOYSA-N
XLogP-0.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Glycine, N,N-dimethyl-, ethyl ester
CID 118412
Glycine, N,N-diethyl-, ethyl ester
CID 75843
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
2-Ethoxy-N,N,N-trimethyl-2-oxoethan-1-aminium bromide
CID 108932
Ethyl 2-[cyano(methyl)amino]acetate
CID 246987
Ethanaminium, 2-ethoxy-N,N,N-trimethyl-2-oxo-, chloride (1:1)
CID 76421
Ammonium, (carboxymethyl)trimethyl-, iodide, ethyl ester
CID 210999
Ethyl 2-{[2-(dimethylamino)ethyl](methyl)amino}acetate
CID 62013715
(2-Ethoxy-2-oxoethyl)-trimethylazanium
CID 76422
Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
CID 762955
1,3,5-Tricarbethoxymethylhexahydro-1,3,5-triazine
CID 10497707
Carbethoxymethyl-triethylammonium bromide
CID 3026436

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(dimethylamino)acetate?
The IUPAC name of ethyl 2,2-bis(dimethylamino)acetate (CID 11480748) is ethyl 2,2-bis(dimethylamino)acetate.
What is the SMILES notation for ethyl 2,2-bis(dimethylamino)acetate?
The canonical SMILES for ethyl 2,2-bis(dimethylamino)acetate is CCOC(=O)C(N(C)C)N(C)C.
What is the InChIKey of ethyl 2,2-bis(dimethylamino)acetate?
The InChIKey is BNPKYJDTQKREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6-12-8(11)7(9(2)3)10(4)5/h7H,6H2,1-5H3.
What are the key properties of ethyl 2,2-bis(dimethylamino)acetate?
ethyl 2,2-bis(dimethylamino)acetate has a molecular weight of 174.24 g/mol, XLogP of -0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(dimethylamino)acetate is sourced from PubChem (CID 11480748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).