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

C9H19NO3 — CID 82328080

IUPAC3-[2-methoxyethyl(propyl)amino]propanoic acid
SMILESCCCN(CCOC)CCC(=O)O
InChIInChI=1S/C9H19NO3/c1-3-5-10(7-8-13-2)6-4-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyHUYVELHXERETSE-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.82
Rot. Bonds8

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

3-[2-methoxyethyl(propyl)amino]propanoic acid (PubChem CID 82328080) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[2-methoxyethyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(propyl)amino]propanoic acid
PubChem CID82328080
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[2-methoxyethyl(propyl)amino]propanoic acid
SMILESCCCN(CCOC)CCC(=O)O
InChIInChI=1S/C9H19NO3/c1-3-5-10(7-8-13-2)6-4-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKeyHUYVELHXERETSE-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-methoxyethyl)amino]propanoic acid
CID 82330232
3-[2-[bis(2-methoxyethyl)amino]ethylamino]propanoic acid
CID 166790089
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[2-methoxyethyl(propyl)amino]propanoic acid (CID 82328080) is 3-[2-methoxyethyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methoxyethyl(propyl)amino]propanoic acid is CCCN(CCOC)CCC(=O)O.
What is the InChIKey of 3-[2-methoxyethyl(propyl)amino]propanoic acid?
The InChIKey is HUYVELHXERETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-5-10(7-8-13-2)6-4-9(11)12/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-methoxyethyl(propyl)amino]propanoic acid?
3-[2-methoxyethyl(propyl)amino]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).