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

C13H25NO4 — CID 63040953

IUPAC4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
SMILESCCCCOCCOCCC(NC1CC1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-2-3-7-17-9-10-18-8-6-12(13(15)16)14-11-4-5-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyUKMOBSJUVXEETJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds12

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

4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid (PubChem CID 63040953) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
PubChem CID63040953
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
SMILESCCCCOCCOCCC(NC1CC1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-2-3-7-17-9-10-18-8-6-12(13(15)16)14-11-4-5-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyUKMOBSJUVXEETJ-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
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-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
2-(cyclopropylamino)heptanoic acid
CID 43754511
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoic acid
CID 104563512
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-amino-4-(2-butoxyethoxy)butanoic acid
CID 63040016

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid?
The IUPAC name of 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid (CID 63040953) is 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid?
The canonical SMILES for 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid is CCCCOCCOCCC(NC1CC1)C(=O)O.
What is the InChIKey of 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid?
The InChIKey is UKMOBSJUVXEETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-2-3-7-17-9-10-18-8-6-12(13(15)16)14-11-4-5-11/h11-12,14H,2-10H2,1H3,(H,15,16).
What are the key properties of 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid?
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid is sourced from PubChem (CID 63040953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).