3-[3-aminopropyl(methyl)amino]propanoic acid

C7H16N2O2 — CID 54145868

IUPAC3-[3-aminopropyl(methyl)amino]propanoic acid
SMILESCN(CCCN)CCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-9(5-2-4-8)6-3-7(10)11/h2-6,8H2,1H3,(H,10,11)
InChIKeyOEIKPOBXXKOYEI-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.26
Rot. Bonds6

About 3-[3-aminopropyl(methyl)amino]propanoic acid

3-[3-aminopropyl(methyl)amino]propanoic acid (PubChem CID 54145868) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]propanoic acid
PubChem CID54145868
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[3-aminopropyl(methyl)amino]propanoic acid
SMILESCN(CCCN)CCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-9(5-2-4-8)6-3-7(10)11/h2-6,8H2,1H3,(H,10,11)
InChIKeyOEIKPOBXXKOYEI-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]propanoic acid (CID 54145868) is 3-[3-aminopropyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]propanoic acid is CN(CCCN)CCC(=O)O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]propanoic acid?
The InChIKey is OEIKPOBXXKOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(5-2-4-8)6-3-7(10)11/h2-6,8H2,1H3,(H,10,11).
What are the key properties of 3-[3-aminopropyl(methyl)amino]propanoic acid?
3-[3-aminopropyl(methyl)amino]propanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 54145868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).