2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid

C17H23NO5 — CID 119217649

IUPAC2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
SMILESCOCCCOc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C17H23NO5/c1-22-9-4-10-23-14-6-2-5-13(11-14)16(21)18-17(7-3-8-17)12-15(19)20/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyFJQFHOZPBUBADJ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.23
Rot. Bonds9

About 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid

2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid (PubChem CID 119217649) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
PubChem CID119217649
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
SMILESCOCCCOc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C17H23NO5/c1-22-9-4-10-23-14-6-2-5-13(11-14)16(21)18-17(7-3-8-17)12-15(19)20/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyFJQFHOZPBUBADJ-UHFFFAOYSA-N
XLogP2.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.23
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-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79848221
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538657
N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-[2-[(1-ethylcyclobutyl)amino]ethoxy]benzoic acid
CID 103264761
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid (CID 119217649) is 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid is COCCCOc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is FJQFHOZPBUBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-22-9-4-10-23-14-6-2-5-13(11-14)16(21)18-17(7-3-8-17)12-15(19)20/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).