2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid

C15H18FNO4 — CID 79844671

IUPAC2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H18FNO4/c1-10(21-12-5-2-4-11(16)8-12)14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyNKFUDCLIHWVTDI-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid

2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid (PubChem CID 79844671) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
PubChem CID79844671
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H18FNO4/c1-10(21-12-5-2-4-11(16)8-12)14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyNKFUDCLIHWVTDI-UHFFFAOYSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62522000
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
2-[4-[2-(3-acetylphenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119215806
N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
2-[2-(3-fluorophenoxy)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546441
2-[4-[2-(4-bromophenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119214918
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81339909
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid (CID 79844671) is 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid is CC(Oc1cccc(F)c1)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid?
The InChIKey is NKFUDCLIHWVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-12-5-2-4-11(16)8-12)14(20)17-15(6-3-7-15)9-13(18)19/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid?
2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).