(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate

C11H23NO3 — CID 106666034

IUPAC(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
SMILESCOC(C)(C)CCOC(=O)C(C)CCN
InChIInChI=1S/C11H23NO3/c1-9(5-7-12)10(13)15-8-6-11(2,3)14-4/h9H,5-8,12H2,1-4H3
InChIKeyLFENYVGPSLYZQY-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds7

About (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate

(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate (PubChem CID 106666034) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
PubChem CID106666034
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
SMILESCOC(C)(C)CCOC(=O)C(C)CCN
InChIInChI=1S/C11H23NO3/c1-9(5-7-12)10(13)15-8-6-11(2,3)14-4/h9H,5-8,12H2,1-4H3
InChIKeyLFENYVGPSLYZQY-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
3,3-dimethylbutyl 5-amino-2-methylpentanoate
CID 104686041
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
6-methoxy-3,6-dimethylheptan-1-amine
CID 103019673
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
CID 106666200
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate (CID 106666034) is (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate is COC(C)(C)CCOC(=O)C(C)CCN.
What is the InChIKey of (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate?
The InChIKey is LFENYVGPSLYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(5-7-12)10(13)15-8-6-11(2,3)14-4/h9H,5-8,12H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate?
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 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) 4-amino-2-methylbutanoate is sourced from PubChem (CID 106666034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).