3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid

C12H25NO3 — CID 82328964

IUPAC3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCCOCCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C12H25NO3/c1-4-16-9-5-7-13(10-11(2)3)8-6-12(14)15/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQXKDDRCZSOTKTJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.85
Rot. Bonds10

About 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid

3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid (PubChem CID 82328964) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
PubChem CID82328964
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
SMILESCCOCCCN(CCC(=O)O)CC(C)C
InChIInChI=1S/C12H25NO3/c1-4-16-9-5-7-13(10-11(2)3)8-6-12(14)15/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyQXKDDRCZSOTKTJ-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328949
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
3-[2-carboxyethyl-[3-(8-methylnonoxy)propyl]amino]propanoic acid
CID 18954537
3-[3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl-(2-carboxyethyl)amino]propanoic acid
CID 11309468
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-ethoxypropyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329925
3-[3-ethoxypropyl(2-piperidin-1-ylethyl)amino]propanoic acid
CID 82330337
3-[2-hydroxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328936
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid (CID 82328964) is 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid is CCOCCCN(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is QXKDDRCZSOTKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-16-9-5-7-13(10-11(2)3)8-6-12(14)15/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid?
3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 82328964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).