3-[3-acetamidopropyl(propyl)amino]propanoic acid

C11H22N2O3 — CID 82328102

IUPAC3-[3-acetamidopropyl(propyl)amino]propanoic acid
SMILESCCCN(CCCNC(C)=O)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-7-13(9-5-11(15)16)8-4-6-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCLNZOIQHZFWURO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds9

About 3-[3-acetamidopropyl(propyl)amino]propanoic acid

3-[3-acetamidopropyl(propyl)amino]propanoic acid (PubChem CID 82328102) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[3-acetamidopropyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-acetamidopropyl(propyl)amino]propanoic acid
PubChem CID82328102
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[3-acetamidopropyl(propyl)amino]propanoic acid
SMILESCCCN(CCCNC(C)=O)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-7-13(9-5-11(15)16)8-4-6-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCLNZOIQHZFWURO-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[pentyl(propyl)amino]propanoic acid
CID 82328254
3-[3-acetamidopropyl(propyl)amino]-2-methylpropanoic acid
CID 82328152
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-[propyl-[3-(propylamino)propyl]amino]butan-2-one
CID 118673927
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
2-amino-N-[3-(dipropylamino)propyl]acetamide
CID 119861226
N-butylacetamide;propanoic acid
CID 87146552
3-[2-carboxyethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoic acid
CID 169130897

Frequently Asked Questions

What is the IUPAC name of 3-[3-acetamidopropyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[3-acetamidopropyl(propyl)amino]propanoic acid (CID 82328102) is 3-[3-acetamidopropyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-acetamidopropyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[3-acetamidopropyl(propyl)amino]propanoic acid is CCCN(CCCNC(C)=O)CCC(=O)O.
What is the InChIKey of 3-[3-acetamidopropyl(propyl)amino]propanoic acid?
The InChIKey is CLNZOIQHZFWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-7-13(9-5-11(15)16)8-4-6-12-10(2)14/h3-9H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[3-acetamidopropyl(propyl)amino]propanoic acid?
3-[3-acetamidopropyl(propyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetamidopropyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).