1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid

C15H19NO4 — CID 81157933

IUPAC1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(OCCC(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-11-3-5-12(6-4-11)20-10-7-13(17)16-15(14(18)19)8-2-9-15/h3-6H,2,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGQJQRTNWMOVYAE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.89
Rot. Bonds6

About 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid

1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81157933) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
PubChem CID81157933
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(OCCC(=O)NC2(C(=O)O)CCC2)cc1
InChIInChI=1S/C15H19NO4/c1-11-3-5-12(6-4-11)20-10-7-13(17)16-15(14(18)19)8-2-9-15/h3-6H,2,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyGQJQRTNWMOVYAE-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylphenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164001
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517
1-[3-(2,6-dimethylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81163982
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid (CID 81157933) is 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid is Cc1ccc(OCCC(=O)NC2(C(=O)O)CCC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is GQJQRTNWMOVYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-3-5-12(6-4-11)20-10-7-13(17)16-15(14(18)19)8-2-9-15/h3-6H,2,7-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).