tert-butyl 2-(methylamino)acetate;hydron;chloride

C7H16ClNO2 — CID 45382244

IUPACtert-butyl 2-(methylamino)acetate;hydron;chloride
SMILESCNCC(=O)OC(C)(C)C.[Cl-].[H+]
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
LogP-2.34
Rot. Bonds2

About tert-butyl 2-(methylamino)acetate;hydron;chloride

tert-butyl 2-(methylamino)acetate;hydron;chloride (PubChem CID 45382244) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)acetate;hydron;chloride.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)acetate;hydron;chloride
PubChem CID45382244
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nametert-butyl 2-(methylamino)acetate;hydron;chloride
SMILESCNCC(=O)OC(C)(C)C.[Cl-].[H+]
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H
InChIKeyRNLQHMIDSCYLAK-UHFFFAOYSA-N
XLogP-2.34
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 ≤ 5-2.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
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tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl 2-[2-(methylamino)ethylamino]acetate
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2-methylbutan-2-yl 2-(methylamino)acetate
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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
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
CID 59035178

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)acetate;hydron;chloride?
The IUPAC name of tert-butyl 2-(methylamino)acetate;hydron;chloride (CID 45382244) is tert-butyl 2-(methylamino)acetate;hydron;chloride.
What is the SMILES notation for tert-butyl 2-(methylamino)acetate;hydron;chloride?
The canonical SMILES for tert-butyl 2-(methylamino)acetate;hydron;chloride is CNCC(=O)OC(C)(C)C.[Cl-].[H+].
What is the InChIKey of tert-butyl 2-(methylamino)acetate;hydron;chloride?
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;hydron;chloride?
tert-butyl 2-(methylamino)acetate;hydron;chloride has a molecular weight of 181.66 g/mol, XLogP of -2.34, 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;hydron;chloride is sourced from PubChem (CID 45382244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).