2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid

C13H27NO7 — CID 177139504

IUPAC2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCOCCOCCOCCOCCOCC(N)C(=O)O
InChIInChI=1S/C13H27NO7/c1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeyYYQKHWYYWGAKLP-UHFFFAOYSA-N
MW309.36 g/mol
LogP-0.50
Rot. Bonds16

About 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid

2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 177139504) has the molecular formula C13H27NO7 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID177139504
Molecular FormulaC13H27NO7
Molecular Weight309.36 g/mol
Exact Mass309.18
IUPAC Name2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCOCCOCCOCCOCCOCC(N)C(=O)O
InChIInChI=1S/C13H27NO7/c1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeyYYQKHWYYWGAKLP-UHFFFAOYSA-N
XLogP-0.50
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid (CID 177139504) is 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid is CCOCCOCCOCCOCCOCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is YYQKHWYYWGAKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO7/c1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid?
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 309.36 g/mol, XLogP of -0.50, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 177139504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).