2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid

C10H14F3NO3 — CID 79848549

IUPAC2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC(F)(F)F)CCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-9(3-1-4-9)6-8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyKHICTLYVXTUIFA-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid

2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid (PubChem CID 79848549) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
PubChem CID79848549
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCC(F)(F)F)CCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-9(3-1-4-9)6-8(16)17/h1-6H2,(H,14,15)(H,16,17)
InChIKeyKHICTLYVXTUIFA-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid
CID 114189971
2-[1-[3-(2,2-dimethylpropanoylamino)propanoylamino]cyclobutyl]acetic acid
CID 79849178
2-[1-(3-ethylsulfanylpropanoylamino)cyclobutyl]acetic acid
CID 115730896
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid (CID 79848549) is 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid?
The InChIKey is KHICTLYVXTUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-2-7(15)14-9(3-1-4-9)6-8(16)17/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid?
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid has a molecular weight of 253.22 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79848549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).