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

C7H15NO3 — CID 25219163

IUPAC3-[2-methoxyethyl(methyl)amino]propanoic acid
SMILESCOCCN(C)CCC(=O)O
InChIInChI=1S/C7H15NO3/c1-8(5-6-11-2)4-3-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyNBCHCTXINNBTRM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.04
Rot. Bonds6

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

3-[2-methoxyethyl(methyl)amino]propanoic acid (PubChem CID 25219163) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]propanoic acid
PubChem CID25219163
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[2-methoxyethyl(methyl)amino]propanoic acid
SMILESCOCCN(C)CCC(=O)O
InChIInChI=1S/C7H15NO3/c1-8(5-6-11-2)4-3-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyNBCHCTXINNBTRM-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]propanoic acid (CID 25219163) is 3-[2-methoxyethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]propanoic acid is COCCN(C)CCC(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]propanoic acid?
The InChIKey is NBCHCTXINNBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(5-6-11-2)4-3-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 3-[2-methoxyethyl(methyl)amino]propanoic acid?
3-[2-methoxyethyl(methyl)amino]propanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.04, 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]propanoic acid is sourced from PubChem (CID 25219163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).