3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid

C12H25NO3 — CID 82328087

IUPAC3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
SMILESCCCN(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-4-7-13(9-6-12(14)15)8-5-10-16-11(2)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyUWJOOIKBKCAEDT-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.99
Rot. Bonds10

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

3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid (PubChem CID 82328087) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
PubChem CID82328087
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
SMILESCCCN(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-4-7-13(9-6-12(14)15)8-5-10-16-11(2)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyUWJOOIKBKCAEDT-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82328377
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82323149
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
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-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328949
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[hexyl(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82328417
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964

Frequently Asked Questions

What is the IUPAC name of 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid (CID 82328087) is 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid is CCCN(CCCOC(C)C)CCC(=O)O.
What is the InChIKey of 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid?
The InChIKey is UWJOOIKBKCAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-7-13(9-6-12(14)15)8-5-10-16-11(2)3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid?
3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).