1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid

C14H16FNO4 — CID 81158051

IUPAC1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C14H16FNO4/c1-9(20-11-5-2-4-10(15)8-11)12(17)16-14(13(18)19)6-3-7-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYSCXHIKIWSSVBK-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid

1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81158051) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
PubChem CID81158051
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C14H16FNO4/c1-9(20-11-5-2-4-10(15)8-11)12(17)16-14(13(18)19)6-3-7-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYSCXHIKIWSSVBK-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
CID 79844671
1-[2-(3-acetylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 119113818
2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62522000
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
2-[2-(3-fluorophenoxy)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546441
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
1-(2-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164696
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
CID 78853035
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid (CID 81158051) is 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid is CC(Oc1cccc(F)c1)C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is YSCXHIKIWSSVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9(20-11-5-2-4-10(15)8-11)12(17)16-14(13(18)19)6-3-7-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid?
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).