methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride

C6H12ClNO4 — CID 2727727

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNCC(=O)OC.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-10-5(8)3-7-4-6(9)11-2;/h7H,3-4H2,1-2H3;1H
InChIKeyIIWYYIACSUPJCN-UHFFFAOYSA-N
MW197.62 g/mol
LogP-0.66
Rot. Bonds4

About methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride

methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride (PubChem CID 2727727) has the molecular formula C6H12ClNO4 and a molecular weight of 197.62 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride
PubChem CID2727727
Molecular FormulaC6H12ClNO4
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNCC(=O)OC.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-10-5(8)3-7-4-6(9)11-2;/h7H,3-4H2,1-2H3;1H
InChIKeyIIWYYIACSUPJCN-UHFFFAOYSA-N
XLogP-0.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl N-methylaminoacetate hydrochloride
CID 171173
Diethyl iminodiacetate
CID 80502
Sarcosine methyl ester
CID 83545
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CID 83544
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
Glycine, N-(carboxymethyl)-, hydrochloride (1:1)
CID 520358
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Methyl N-ethylglycinate
CID 12591596
Methyl 2-((cyanomethyl)amino)acetate
CID 28567047
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride (CID 2727727) is methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride is COC(=O)CNCC(=O)OC.Cl.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride?
The InChIKey is IIWYYIACSUPJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-7-4-6(9)11-2;/h7H,3-4H2,1-2H3;1H.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride?
methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate;hydrochloride is sourced from PubChem (CID 2727727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).