1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid

C10H14F3NO3 — CID 115445234

IUPAC1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CCC(F)(F)F)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-6-9(8(16)17)3-1-4-9/h1-6H2,(H,14,15)(H,16,17)
InChIKeyCGUZWWWKBCQBHP-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.70
Rot. Bonds5

About 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445234) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445234
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(CCC(F)(F)F)NCC1(C(=O)O)CCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-6-9(8(16)17)3-1-4-9/h1-6H2,(H,14,15)(H,16,17)
InChIKeyCGUZWWWKBCQBHP-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4,4,4-trifluorobutanoylamino)methyl]oxane-4-carboxylic acid
CID 115438425
1-[[(6-amino-4,4-dimethylhexanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445871
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445234) is 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid is O=C(CCC(F)(F)F)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CGUZWWWKBCQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-6-9(8(16)17)3-1-4-9/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).