methyl 2,2-dimethyl-3-(methylamino)propanoate

C7H15NO2 — CID 13248576

IUPACmethyl 2,2-dimethyl-3-(methylamino)propanoate
SMILESCNCC(C)(C)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-7(2,5-8-3)6(9)10-4/h8H,5H2,1-4H3
InChIKeyCVDOMJHQKVAACI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.41
Rot. Bonds3

About methyl 2,2-dimethyl-3-(methylamino)propanoate

methyl 2,2-dimethyl-3-(methylamino)propanoate (PubChem CID 13248576) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(methylamino)propanoate
PubChem CID13248576
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2,2-dimethyl-3-(methylamino)propanoate
SMILESCNCC(C)(C)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-7(2,5-8-3)6(9)10-4/h8H,5H2,1-4H3
InChIKeyCVDOMJHQKVAACI-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(methylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(methylamino)propanoate (CID 13248576) is methyl 2,2-dimethyl-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(methylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(methylamino)propanoate is CNCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2,2-dimethyl-3-(methylamino)propanoate?
The InChIKey is CVDOMJHQKVAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,5-8-3)6(9)10-4/h8H,5H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-(methylamino)propanoate?
methyl 2,2-dimethyl-3-(methylamino)propanoate has a molecular weight of 145.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(methylamino)propanoate is sourced from PubChem (CID 13248576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).