2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid

C13H25NO6 — CID 171058828

IUPAC2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCNC(=O)COCCOCCOC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO6/c1-4-5-14-11(15)10-19-7-6-18-8-9-20-13(2,3)12(16)17/h4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySSPVLXQBVVNJPN-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.43
Rot. Bonds12

About 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid

2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 171058828) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID171058828
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCNC(=O)COCCOCCOC(C)(C)C(=O)O
InChIInChI=1S/C13H25NO6/c1-4-5-14-11(15)10-19-7-6-18-8-9-20-13(2,3)12(16)17/h4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeySSPVLXQBVVNJPN-UHFFFAOYSA-N
XLogP0.43
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid (CID 171058828) is 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid is CCCNC(=O)COCCOCCOC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is SSPVLXQBVVNJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-4-5-14-11(15)10-19-7-6-18-8-9-20-13(2,3)12(16)17/h4-10H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 291.34 g/mol, XLogP of 0.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[2-[2-oxo-2-(propylamino)ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 171058828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).