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

C13H20FNO3 — CID 122129354

IUPAC2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCC(F)C2)CCC1
InChIInChI=1S/C13H20FNO3/c14-10-4-1-3-9(7-10)12(18)15-13(5-2-6-13)8-11(16)17/h9-10H,1-8H2,(H,15,18)(H,16,17)
InChIKeyXLUGQIKVSOFBHO-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.03
Rot. Bonds4

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

2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid (PubChem CID 122129354) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid
PubChem CID122129354
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CCCC(F)C2)CCC1
InChIInChI=1S/C13H20FNO3/c14-10-4-1-3-9(7-10)12(18)15-13(5-2-6-13)8-11(16)17/h9-10H,1-8H2,(H,15,18)(H,16,17)
InChIKeyXLUGQIKVSOFBHO-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
2-[1-[(5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 83191868
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid
CID 79848470
2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79848389
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid (CID 122129354) is 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)C2CCCC(F)C2)CCC1.
What is the InChIKey of 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is XLUGQIKVSOFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c14-10-4-1-3-9(7-10)12(18)15-13(5-2-6-13)8-11(16)17/h9-10H,1-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 257.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 122129354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).