methyl 3-methyl-3-(methylamino)butanoate

C7H15NO2 — CID 23348513

IUPACmethyl 3-methyl-3-(methylamino)butanoate
SMILESCNC(C)(C)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-7(2,8-3)5-6(9)10-4/h8H,5H2,1-4H3
InChIKeyNKRXMQJBFXQBGU-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds3

About methyl 3-methyl-3-(methylamino)butanoate

methyl 3-methyl-3-(methylamino)butanoate (PubChem CID 23348513) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-methyl-3-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-(methylamino)butanoate
PubChem CID23348513
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-methyl-3-(methylamino)butanoate
SMILESCNC(C)(C)CC(=O)OC
InChIInChI=1S/C7H15NO2/c1-7(2,8-3)5-6(9)10-4/h8H,5H2,1-4H3
InChIKeyNKRXMQJBFXQBGU-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-amino-3-methylbutanoate
CID 18667677
methyl (3R)-3-(methylamino)butanoate hydrochloride
CID 134280565
Ethyl 3-methyl-3-(methylamino)butanoate hydrochloride
CID 71757651
Methyl 2-[1-(methylamino)cyclopropyl]acetate hydrochloride
CID 138039909
3-Methyl-3-(methylamino)butanoic acid hydrochloride
CID 146155664
methyl (3S)-3-(methylamino)butanoate
CID 58782001
Ethyl 3-methyl-3-(methylamino)butanoate
CID 19088476
3-Methyl-3-(methylamino)butanoic acid
CID 53750520
Methyl 2-[1-(methylamino)cyclopropyl]acetate
CID 84075589
methyl (3R)-3-(methylamino)butanoate
CID 92446477
Methyl 3-(tert-butylamino)-2-methylbutanoate
CID 103718941
Methyl 3-(methylamino)butanoate
CID 12636115

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-(methylamino)butanoate?
The IUPAC name of methyl 3-methyl-3-(methylamino)butanoate (CID 23348513) is methyl 3-methyl-3-(methylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-3-(methylamino)butanoate?
The canonical SMILES for methyl 3-methyl-3-(methylamino)butanoate is CNC(C)(C)CC(=O)OC.
What is the InChIKey of methyl 3-methyl-3-(methylamino)butanoate?
The InChIKey is NKRXMQJBFXQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,8-3)5-6(9)10-4/h8H,5H2,1-4H3.
What are the key properties of methyl 3-methyl-3-(methylamino)butanoate?
methyl 3-methyl-3-(methylamino)butanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-(methylamino)butanoate is sourced from PubChem (CID 23348513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).