(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate

C11H23NO3 — CID 106666081

IUPAC(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
SMILESCCC(NC)C(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-6-9(12-4)10(13)15-8-7-11(2,3)14-5/h9,12H,6-8H2,1-5H3
InChIKeyUUPBFGHZKVQBTB-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate

(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate (PubChem CID 106666081) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
PubChem CID106666081
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
SMILESCCC(NC)C(=O)OCCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-6-9(12-4)10(13)15-8-7-11(2,3)14-5/h9,12H,6-8H2,1-5H3
InChIKeyUUPBFGHZKVQBTB-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxy-3-methylbutoxy)-2-(methylamino)butanoate
CID 106666689
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
amino 2-(methylamino)butanoate
CID 89108976
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
CID 106665959
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate (CID 106666081) is (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate is CCC(NC)C(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate?
The InChIKey is UUPBFGHZKVQBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-9(12-4)10(13)15-8-7-11(2,3)14-5/h9,12H,6-8H2,1-5H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate?
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(methylamino)butanoate is sourced from PubChem (CID 106666081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).