3-[2-aminopropyl(methyl)amino]propanoic acid

C7H16N2O2 — CID 123457860

IUPAC3-[2-aminopropyl(methyl)amino]propanoic acid
SMILESCC(N)CN(C)CCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(8)5-9(2)4-3-7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyVDZNKRAGZQALCU-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.26
Rot. Bonds5

About 3-[2-aminopropyl(methyl)amino]propanoic acid

3-[2-aminopropyl(methyl)amino]propanoic acid (PubChem CID 123457860) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[2-aminopropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-aminopropyl(methyl)amino]propanoic acid
PubChem CID123457860
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-[2-aminopropyl(methyl)amino]propanoic acid
SMILESCC(N)CN(C)CCC(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(8)5-9(2)4-3-7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyVDZNKRAGZQALCU-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[2-aminopropyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2-aminopropyl(methyl)amino]propanoic acid (CID 123457860) is 3-[2-aminopropyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-aminopropyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2-aminopropyl(methyl)amino]propanoic acid is CC(N)CN(C)CCC(=O)O.
What is the InChIKey of 3-[2-aminopropyl(methyl)amino]propanoic acid?
The InChIKey is VDZNKRAGZQALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(8)5-9(2)4-3-7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11).
What are the key properties of 3-[2-aminopropyl(methyl)amino]propanoic acid?
3-[2-aminopropyl(methyl)amino]propanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 123457860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).