3-[amino(propyl)amino]propanoic acid

C6H14N2O2 — CID 91107861

IUPAC3-[amino(propyl)amino]propanoic acid
SMILESCCCN(N)CCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-4-8(7)5-3-6(9)10/h2-5,7H2,1H3,(H,9,10)
InChIKeyQELMFOQPBTYQHE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.05
Rot. Bonds5

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

3-[amino(propyl)amino]propanoic acid (PubChem CID 91107861) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-[amino(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[amino(propyl)amino]propanoic acid
PubChem CID91107861
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-[amino(propyl)amino]propanoic acid
SMILESCCCN(N)CCC(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-4-8(7)5-3-6(9)10/h2-5,7H2,1H3,(H,9,10)
InChIKeyQELMFOQPBTYQHE-UHFFFAOYSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(propyl)amino]propanoic acid?
The IUPAC name of 3-[amino(propyl)amino]propanoic acid (CID 91107861) is 3-[amino(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[amino(propyl)amino]propanoic acid?
The canonical SMILES for 3-[amino(propyl)amino]propanoic acid is CCCN(N)CCC(=O)O.
What is the InChIKey of 3-[amino(propyl)amino]propanoic acid?
The InChIKey is QELMFOQPBTYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-4-8(7)5-3-6(9)10/h2-5,7H2,1H3,(H,9,10).
What are the key properties of 3-[amino(propyl)amino]propanoic acid?
3-[amino(propyl)amino]propanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propyl)amino]propanoic acid is sourced from PubChem (CID 91107861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).