methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride

C6H12ClNO4 — CID 174628229

IUPACmethyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)OC.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-7(6(9)11-3)4-5(8)10-2;/h4H2,1-3H3;1H
InChIKeyKIHUTOCSHNHWJI-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.28
Rot. Bonds2

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

methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride (PubChem CID 174628229) has the molecular formula C6H12ClNO4 and a molecular weight of 197.62 g/mol. Its IUPAC name is methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
PubChem CID174628229
Molecular FormulaC6H12ClNO4
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)OC.Cl
InChIInChI=1S/C6H11NO4.ClH/c1-7(6(9)11-3)4-5(8)10-2;/h4H2,1-3H3;1H
InChIKeyKIHUTOCSHNHWJI-UHFFFAOYSA-N
XLogP0.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
methyl 2-[3-bromoprop-2-ynoxycarbonyl(methyl)amino]acetate
CID 171642365
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
methyl 2-[diethylcarbamoyl(methyl)amino]acetate
CID 79161782
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128188
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
methyl 2-[formyl(methoxycarbonyl)amino]acetate
CID 166484365
methyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-methylamino]acetate
CID 143607537

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride (CID 174628229) is methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride is COC(=O)CN(C)C(=O)OC.Cl.
What is the InChIKey of methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride?
The InChIKey is KIHUTOCSHNHWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4.ClH/c1-7(6(9)11-3)4-5(8)10-2;/h4H2,1-3H3;1H.
What are the key properties of methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride?
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride is sourced from PubChem (CID 174628229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).