4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid

C12H25NO4 — CID 55144727

IUPAC4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
SMILESCCCNC(CCOCCOC(C)C)C(=O)O
InChIInChI=1S/C12H25NO4/c1-4-6-13-11(12(14)15)5-7-16-8-9-17-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyFCAOYGFRZYLBIV-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.27
Rot. Bonds11

About 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid

4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid (PubChem CID 55144727) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
PubChem CID55144727
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
SMILESCCCNC(CCOCCOC(C)C)C(=O)O
InChIInChI=1S/C12H25NO4/c1-4-6-13-11(12(14)15)5-7-16-8-9-17-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyFCAOYGFRZYLBIV-UHFFFAOYSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.27
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

4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid?
The IUPAC name of 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid (CID 55144727) is 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid is CCCNC(CCOCCOC(C)C)C(=O)O.
What is the InChIKey of 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid?
The InChIKey is FCAOYGFRZYLBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-6-13-11(12(14)15)5-7-16-8-9-17-10(2)3/h10-11,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid?
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid is sourced from PubChem (CID 55144727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).