3-amino-4-methoxy-3-methylbutanoic acid

C6H13NO3 — CID 64666411

IUPAC3-amino-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(N)CC(=O)O
InChIInChI=1S/C6H13NO3/c1-6(7,4-10-2)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyHKWDLUODIJRKHL-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.18
Rot. Bonds4

About 3-amino-4-methoxy-3-methylbutanoic acid

3-amino-4-methoxy-3-methylbutanoic acid (PubChem CID 64666411) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-amino-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-amino-4-methoxy-3-methylbutanoic acid
PubChem CID64666411
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-amino-4-methoxy-3-methylbutanoic acid
SMILESCOCC(C)(N)CC(=O)O
InChIInChI=1S/C6H13NO3/c1-6(7,4-10-2)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyHKWDLUODIJRKHL-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
trisodium;hydride;1-(methoxymethyl)ethane-1,1,2-tricarboxylic acid
CID 173461711
3-amino-3-methylheptanoic acid
CID 53262232
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
(3S)-3-amino-5-ethyl-3-methylheptanoic acid
CID 87761055
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 124686163
2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
CID 174849026
1,2-dimethoxy-2-methylpentan-3-one
CID 83225929
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
3-amino-3,4-dimethylpentanoic acid
CID 53414110

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-amino-4-methoxy-3-methylbutanoic acid (CID 64666411) is 3-amino-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-amino-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-amino-4-methoxy-3-methylbutanoic acid is COCC(C)(N)CC(=O)O.
What is the InChIKey of 3-amino-4-methoxy-3-methylbutanoic acid?
The InChIKey is HKWDLUODIJRKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(7,4-10-2)3-5(8)9/h3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 3-amino-4-methoxy-3-methylbutanoic acid?
3-amino-4-methoxy-3-methylbutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 64666411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).