methyl 2-(diethylamino)acetate

C7H15NO2 — CID 559451

IUPACmethyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6-7(9)10-3/h4-6H2,1-3H3
InChIKeyYLZLHVWLTRZOJH-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-(diethylamino)acetate

methyl 2-(diethylamino)acetate (PubChem CID 559451) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-(diethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)acetate
PubChem CID559451
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-8(5-2)6-7(9)10-3/h4-6H2,1-3H3
InChIKeyYLZLHVWLTRZOJH-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Betaine
CID 247
Dimethylaminoethyl acetate
CID 15013
Glycine, N,N-dimethyl-, methyl ester
CID 81569
Betaine monohydrate
CID 24884197
Glycine, N,N-dimethyl-, ethyl ester
CID 118412
Glycine, N,N-diethyl-, ethyl ester
CID 75843
N,N-Diethylglycine
CID 74151
Methyl Morpholinoacetate
CID 1268178
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride
CID 5702209
1-Aziridineacetic acid, methyl ester
CID 26865
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)acetate?
The IUPAC name of methyl 2-(diethylamino)acetate (CID 559451) is methyl 2-(diethylamino)acetate.
What is the SMILES notation for methyl 2-(diethylamino)acetate?
The canonical SMILES for methyl 2-(diethylamino)acetate is CCN(CC)CC(=O)OC.
What is the InChIKey of methyl 2-(diethylamino)acetate?
The InChIKey is YLZLHVWLTRZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-8(5-2)6-7(9)10-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-(diethylamino)acetate?
methyl 2-(diethylamino)acetate has a molecular weight of 145.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)acetate is sourced from PubChem (CID 559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).