4-methoxy-2-(methylaminomethyl)butanoic acid

C7H15NO3 — CID 117236960

IUPAC4-methoxy-2-(methylaminomethyl)butanoic acid
SMILESCNCC(CCOC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-8-5-6(7(9)10)3-4-11-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyIZULLAMHNHYOFB-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.06
Rot. Bonds6

About 4-methoxy-2-(methylaminomethyl)butanoic acid

4-methoxy-2-(methylaminomethyl)butanoic acid (PubChem CID 117236960) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-methoxy-2-(methylaminomethyl)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(methylaminomethyl)butanoic acid
PubChem CID117236960
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-methoxy-2-(methylaminomethyl)butanoic acid
SMILESCNCC(CCOC)C(=O)O
InChIInChI=1S/C7H15NO3/c1-8-5-6(7(9)10)3-4-11-2/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyIZULLAMHNHYOFB-UHFFFAOYSA-N
XLogP-0.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(methylaminomethyl)butanoic acid
CID 117236956
2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
CID 174465837
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
2-(methylaminomethyl)butanedioic acid
CID 84651177
4-amino-2-(methylaminomethyl)-4-oxobutanoic acid
CID 89475350
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
4-methoxy-2-(phenoxymethyl)butanoic acid
CID 117236995

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(methylaminomethyl)butanoic acid?
The IUPAC name of 4-methoxy-2-(methylaminomethyl)butanoic acid (CID 117236960) is 4-methoxy-2-(methylaminomethyl)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(methylaminomethyl)butanoic acid?
The canonical SMILES for 4-methoxy-2-(methylaminomethyl)butanoic acid is CNCC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-(methylaminomethyl)butanoic acid?
The InChIKey is IZULLAMHNHYOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8-5-6(7(9)10)3-4-11-2/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-methoxy-2-(methylaminomethyl)butanoic acid?
4-methoxy-2-(methylaminomethyl)butanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(methylaminomethyl)butanoic acid is sourced from PubChem (CID 117236960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).