2-amino-4-(2-butoxyethoxy)butanoic acid

C10H21NO4 — CID 63040016

IUPAC2-amino-4-(2-butoxyethoxy)butanoic acid
SMILESCCCCOCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-2-3-5-14-7-8-15-6-4-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyZEEDWCWMFWOULG-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.62
Rot. Bonds10

About 2-amino-4-(2-butoxyethoxy)butanoic acid

2-amino-4-(2-butoxyethoxy)butanoic acid (PubChem CID 63040016) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-4-(2-butoxyethoxy)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-butoxyethoxy)butanoic acid
PubChem CID63040016
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-amino-4-(2-butoxyethoxy)butanoic acid
SMILESCCCCOCCOCCC(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-2-3-5-14-7-8-15-6-4-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyZEEDWCWMFWOULG-UHFFFAOYSA-N
XLogP0.62
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
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-butoxyethoxy)butanoic acid?
The IUPAC name of 2-amino-4-(2-butoxyethoxy)butanoic acid (CID 63040016) is 2-amino-4-(2-butoxyethoxy)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-butoxyethoxy)butanoic acid?
The canonical SMILES for 2-amino-4-(2-butoxyethoxy)butanoic acid is CCCCOCCOCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-butoxyethoxy)butanoic acid?
The InChIKey is ZEEDWCWMFWOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-2-3-5-14-7-8-15-6-4-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-(2-butoxyethoxy)butanoic acid?
2-amino-4-(2-butoxyethoxy)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-butoxyethoxy)butanoic acid is sourced from PubChem (CID 63040016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).