3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid

C9H19NO4 — CID 106668506

IUPAC3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
SMILESCOC(C)(C)CCOC(CN)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,13-3)4-5-14-7(6-10)8(11)12/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyVIDFPYWAQBQGIV-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.23
Rot. Bonds7

About 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid

3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid (PubChem CID 106668506) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
PubChem CID106668506
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
SMILESCOC(C)(C)CCOC(CN)C(=O)O
InChIInChI=1S/C9H19NO4/c1-9(2,13-3)4-5-14-7(6-10)8(11)12/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyVIDFPYWAQBQGIV-UHFFFAOYSA-N
XLogP0.23
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
CID 118255569
2-chloro-3-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668319
2-(3-hydroxypropoxy)-4-methoxy-4-methylpentanoic acid
CID 106676696
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
ethyl 2-fluoro-2-(3-methoxy-3-methylbutoxy)acetate
CID 106664712
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
2-(3-methoxy-3-methylbutoxy)butanimidamide
CID 106665863
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034
2-hydroxy-3-(3-methoxy-3-methylbutoxy)-2-methylpropanoic acid
CID 106664715
carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid?
The IUPAC name of 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid (CID 106668506) is 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid is COC(C)(C)CCOC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid?
The InChIKey is VIDFPYWAQBQGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,13-3)4-5-14-7(6-10)8(11)12/h7H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid?
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid is sourced from PubChem (CID 106668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).