methyl 2-[methyl(2-methylpropyl)amino]acetate

C8H17NO2 — CID 43213305

IUPACmethyl 2-[methyl(2-methylpropyl)amino]acetate
SMILESCOC(=O)CN(C)CC(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)5-9(3)6-8(10)11-4/h7H,5-6H2,1-4H3
InChIKeyRAERIKLFZPOYAH-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.75
Rot. Bonds4

About methyl 2-[methyl(2-methylpropyl)amino]acetate

methyl 2-[methyl(2-methylpropyl)amino]acetate (PubChem CID 43213305) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl 2-[methyl(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-methylpropyl)amino]acetate
PubChem CID43213305
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl 2-[methyl(2-methylpropyl)amino]acetate
SMILESCOC(=O)CN(C)CC(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)5-9(3)6-8(10)11-4/h7H,5-6H2,1-4H3
InChIKeyRAERIKLFZPOYAH-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-methylpropyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-methylpropyl)amino]acetate (CID 43213305) is methyl 2-[methyl(2-methylpropyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-methylpropyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-methylpropyl)amino]acetate is COC(=O)CN(C)CC(C)C.
What is the InChIKey of methyl 2-[methyl(2-methylpropyl)amino]acetate?
The InChIKey is RAERIKLFZPOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)5-9(3)6-8(10)11-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 2-[methyl(2-methylpropyl)amino]acetate?
methyl 2-[methyl(2-methylpropyl)amino]acetate has a molecular weight of 159.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-methylpropyl)amino]acetate is sourced from PubChem (CID 43213305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).