3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid

C13H25NO6 — CID 175775195

IUPAC3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCC(=O)NCCOCCOCCOCCC(=O)O
InChIInChI=1S/C13H25NO6/c1-2-3-12(15)14-5-7-19-9-11-20-10-8-18-6-4-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyNHUTYKLRNHCFKV-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.43
Rot. Bonds14

About 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 175775195) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
PubChem CID175775195
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
SMILESCCCC(=O)NCCOCCOCCOCCC(=O)O
InChIInChI=1S/C13H25NO6/c1-2-3-12(15)14-5-7-19-9-11-20-10-8-18-6-4-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyNHUTYKLRNHCFKV-UHFFFAOYSA-N
XLogP0.43
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.43
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

N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155320272
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 171819363
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid (CID 175775195) is 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid is CCCC(=O)NCCOCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
The InChIKey is NHUTYKLRNHCFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-2-3-12(15)14-5-7-19-9-11-20-10-8-18-6-4-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid?
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 291.34 g/mol, XLogP of 0.43, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 175775195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).