3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid

C9H19NO3 — CID 79407111

IUPAC3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
SMILESCOCCN(C)C(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(9(11)12)8(2)10(3)5-6-13-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyAKPBFJYDQLIFLD-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.67
Rot. Bonds6

About 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid

3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid (PubChem CID 79407111) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
PubChem CID79407111
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
SMILESCOCCN(C)C(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(9(11)12)8(2)10(3)5-6-13-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyAKPBFJYDQLIFLD-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
CID 175562257
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
3-N-(2-methoxyethyl)-3-N,2-dimethylbutane-1,3-diamine
CID 79409704
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid (CID 79407111) is 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid is COCCN(C)C(C)C(C)C(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid?
The InChIKey is AKPBFJYDQLIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(9(11)12)8(2)10(3)5-6-13-4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid?
3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79407111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).