2-[3-(propan-2-ylamino)propoxy]propanoic acid

C9H19NO3 — CID 106939688

IUPAC2-[3-(propan-2-ylamino)propoxy]propanoic acid
SMILESCC(C)NCCCOC(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)10-5-4-6-13-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYKBLTGPHGFPLHT-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.86
Rot. Bonds7

About 2-[3-(propan-2-ylamino)propoxy]propanoic acid

2-[3-(propan-2-ylamino)propoxy]propanoic acid (PubChem CID 106939688) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propoxy]propanoic acid
PubChem CID106939688
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[3-(propan-2-ylamino)propoxy]propanoic acid
SMILESCC(C)NCCCOC(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-7(2)10-5-4-6-13-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYKBLTGPHGFPLHT-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(propan-2-ylamino)propoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propoxy]propanoic acid?
The IUPAC name of 2-[3-(propan-2-ylamino)propoxy]propanoic acid (CID 106939688) is 2-[3-(propan-2-ylamino)propoxy]propanoic acid.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propoxy]propanoic acid?
The canonical SMILES for 2-[3-(propan-2-ylamino)propoxy]propanoic acid is CC(C)NCCCOC(C)C(=O)O.
What is the InChIKey of 2-[3-(propan-2-ylamino)propoxy]propanoic acid?
The InChIKey is YKBLTGPHGFPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(2)10-5-4-6-13-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[3-(propan-2-ylamino)propoxy]propanoic acid?
2-[3-(propan-2-ylamino)propoxy]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propoxy]propanoic acid is sourced from PubChem (CID 106939688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).