3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid

C15H21NO5 — CID 103152721

IUPAC3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
SMILESCOC(CNC(=O)CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C15H21NO5/c1-20-13(10-15(18)19)11-16-14(17)8-5-9-21-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyCUTQVICDMWKWTK-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.45
Rot. Bonds10

About 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid

3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid (PubChem CID 103152721) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
PubChem CID103152721
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
SMILESCOC(CNC(=O)CCCOc1ccccc1)CC(=O)O
InChIInChI=1S/C15H21NO5/c1-20-13(10-15(18)19)11-16-14(17)8-5-9-21-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyCUTQVICDMWKWTK-UHFFFAOYSA-N
XLogP1.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.45
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

3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
3-methoxy-4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 103152885
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid (CID 103152721) is 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid is COC(CNC(=O)CCCOc1ccccc1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid?
The InChIKey is CUTQVICDMWKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-20-13(10-15(18)19)11-16-14(17)8-5-9-21-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid?
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid is sourced from PubChem (CID 103152721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).