2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid

C12H25NO5 — CID 104563512

IUPAC2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
SMILESCCCCOCCOCCOCCC(N)C(=O)O
InChIInChI=1S/C12H25NO5/c1-2-3-5-16-7-9-18-10-8-17-6-4-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyAFBGAEPHZZHKCE-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.64
Rot. Bonds13

About 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid

2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid (PubChem CID 104563512) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
PubChem CID104563512
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
SMILESCCCCOCCOCCOCCC(N)C(=O)O
InChIInChI=1S/C12H25NO5/c1-2-3-5-16-7-9-18-10-8-17-6-4-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)
InChIKeyAFBGAEPHZZHKCE-UHFFFAOYSA-N
XLogP0.64
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.64
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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Related Compounds

2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016
2-amino-4-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103404603
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
(2R)-2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propanoic acid
CID 104563565
(2S)-2-amino-4-(3-methylbutoxy)butanoic acid
CID 106702741
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
CID 61149860
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
2-amino-4-(3-oxobutoxy)butanoic acid
CID 146272358
methyl 2-amino-4-heptoxybutanoate
CID 63039834

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid?
The IUPAC name of 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid (CID 104563512) is 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid?
The canonical SMILES for 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid is CCCCOCCOCCOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid?
The InChIKey is AFBGAEPHZZHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-2-3-5-16-7-9-18-10-8-17-6-4-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid?
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid has a molecular weight of 263.33 g/mol, XLogP of 0.64, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid is sourced from PubChem (CID 104563512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).