2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid

C11H15F3N2O3 — CID 106216540

IUPAC2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(4-5-10)16-8(19)15-9(2-1-3-9)6-7(17)18/h1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyOIPGGSAPBQZJQX-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid (PubChem CID 106216540) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
PubChem CID106216540
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(4-5-10)16-8(19)15-9(2-1-3-9)6-7(17)18/h1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyOIPGGSAPBQZJQX-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(Trifluoroacetamido)cyclobutyl]acetic acid
CID 79846628
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846733
2-[1-(3,3,3-Trifluoropropanoylamino)cyclobutyl]acetic acid
CID 79848465
2-[1-(4,4,4-Trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851059
2-[1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851129
2-[1-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851139
2-[1-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851630
2-[1-(3,3,3-Trifluoropropylcarbamoylamino)cyclobutyl]acetic acid
CID 79852097
2-[1-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79852167
2-[1-[(2,2-Difluoroacetyl)amino]cyclobutyl]acetic acid
CID 103513389
2-[1-[[1-(Trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentyl]acetic acid
CID 106216532

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid (CID 106216540) is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NC2(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is OIPGGSAPBQZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(4-5-10)16-8(19)15-9(2-1-3-9)6-7(17)18/h1-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid?
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 106216540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).