2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid

C10H15F3N2O3 — CID 79852097

IUPAC2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCC(F)(F)F)CCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-8(18)15-9(2-1-3-9)6-7(16)17/h1-6H2,(H,16,17)(H2,14,15,18)
InChIKeyBRUDUQNESNPLQI-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79852097) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79852097
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCC(F)(F)F)CCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-8(18)15-9(2-1-3-9)6-7(16)17/h1-6H2,(H,16,17)(H2,14,15,18)
InChIKeyBRUDUQNESNPLQI-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid (CID 79852097) is 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NCCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is BRUDUQNESNPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)4-5-14-8(18)15-9(2-1-3-9)6-7(16)17/h1-6H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).