3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid

C9H20N2O2 — CID 43538556

IUPAC3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid
SMILESCC(CNCCCN(C)C)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-8(9(12)13)7-10-5-4-6-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyCHABAXQJEOVDTJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.25
Rot. Bonds7

About 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid

3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid (PubChem CID 43538556) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid
PubChem CID43538556
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid
SMILESCC(CNCCCN(C)C)C(=O)O
InChIInChI=1S/C9H20N2O2/c1-8(9(12)13)7-10-5-4-6-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyCHABAXQJEOVDTJ-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid (CID 43538556) is 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid is CC(CNCCCN(C)C)C(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid?
The InChIKey is CHABAXQJEOVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(9(12)13)7-10-5-4-6-11(2)3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid?
3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 43538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).