tert-butyl 2-(methylamino)acetate;hydrochloride

C7H16ClNO2 — CID 11252350

IUPACtert-butyl 2-(methylamino)acetate;hydrochloride
SMILESCNCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H
InChIKeyRNLQHMIDSCYLAK-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl 2-(methylamino)acetate;hydrochloride

tert-butyl 2-(methylamino)acetate;hydrochloride (PubChem CID 11252350) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)acetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)acetate;hydrochloride
PubChem CID11252350
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nametert-butyl 2-(methylamino)acetate;hydrochloride
SMILESCNCC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H
InChIKeyRNLQHMIDSCYLAK-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(methylamino)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

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate
CID 20684895
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
CID 146252161
tert-butyl 2-(methanesulfinamido)acetate
CID 143068287
2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
CID 59035178
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
CID 88590232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)acetate;hydrochloride?
The IUPAC name of tert-butyl 2-(methylamino)acetate;hydrochloride (CID 11252350) is tert-butyl 2-(methylamino)acetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-(methylamino)acetate;hydrochloride?
The canonical SMILES for tert-butyl 2-(methylamino)acetate;hydrochloride is CNCC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2-(methylamino)acetate;hydrochloride?
The InChIKey is RNLQHMIDSCYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H.
What are the key properties of tert-butyl 2-(methylamino)acetate;hydrochloride?
tert-butyl 2-(methylamino)acetate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)acetate;hydrochloride is sourced from PubChem (CID 11252350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).