4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid

C15H21NO3 — CID 60782936

IUPAC4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
SMILESCOc1ccccc1C1CC(NCCCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)11-9-12(10-11)16-8-4-7-15(17)18/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyMVXFXTQJRBUXOQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds7

About 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid

4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid (PubChem CID 60782936) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
PubChem CID60782936
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
SMILESCOc1ccccc1C1CC(NCCCC(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)11-9-12(10-11)16-8-4-7-15(17)18/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyMVXFXTQJRBUXOQ-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
CID 64577929
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115516703
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
methyl 4-[[3-(2-fluorophenyl)cyclobutyl]amino]butanoate
CID 60782595
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62635026
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid (CID 60782936) is 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid is COc1ccccc1C1CC(NCCCC(=O)O)C1.
What is the InChIKey of 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid?
The InChIKey is MVXFXTQJRBUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-6-3-2-5-13(14)11-9-12(10-11)16-8-4-7-15(17)18/h2-3,5-6,11-12,16H,4,7-10H2,1H3,(H,17,18).
What are the key properties of 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid?
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid is sourced from PubChem (CID 60782936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).