ethyl 2-(dimethylamino)acetate;hydrochloride

C6H14ClNO2 — CID 86629091

IUPACethyl 2-(dimethylamino)acetate;hydrochloride
SMILESCCOC(=O)CN(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5-7(2)3;/h4-5H2,1-3H3;1H
InChIKeyUQJMDAWYYKLNKJ-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.53
Rot. Bonds3

About ethyl 2-(dimethylamino)acetate;hydrochloride

ethyl 2-(dimethylamino)acetate;hydrochloride (PubChem CID 86629091) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)acetate;hydrochloride
PubChem CID86629091
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl 2-(dimethylamino)acetate;hydrochloride
SMILESCCOC(=O)CN(C)C.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5-7(2)3;/h4-5H2,1-3H3;1H
InChIKeyUQJMDAWYYKLNKJ-UHFFFAOYSA-N
XLogP0.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
butyl 2-(dimethylamino)acetate;methane
CID 157088664
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
ethyl 2-[dimethylcarbamothioyl(methyl)amino]acetate
CID 14401485
2-oxoethyl 2-(dimethylamino)acetate
CID 142750400

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(dimethylamino)acetate;hydrochloride (CID 86629091) is ethyl 2-(dimethylamino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(dimethylamino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(dimethylamino)acetate;hydrochloride is CCOC(=O)CN(C)C.Cl.
What is the InChIKey of ethyl 2-(dimethylamino)acetate;hydrochloride?
The InChIKey is UQJMDAWYYKLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5-7(2)3;/h4-5H2,1-3H3;1H.
What are the key properties of ethyl 2-(dimethylamino)acetate;hydrochloride?
ethyl 2-(dimethylamino)acetate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)acetate;hydrochloride is sourced from PubChem (CID 86629091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).