2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid

C12H17F3N2O3 — CID 79851059

IUPAC2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESC1CC(C1)(CC(=O)O)NC(=O)N(CC(F)(F)F)C2CC2
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-17(8-2-3-8)10(20)16-11(4-1-5-11)6-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19)
InChIKeyDTENKYCNDHMHHS-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851059) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851059
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESC1CC(C1)(CC(=O)O)NC(=O)N(CC(F)(F)F)C2CC2
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-17(8-2-3-8)10(20)16-11(4-1-5-11)6-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19)
InChIKeyDTENKYCNDHMHHS-UHFFFAOYSA-N
XLogP2.00
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity403

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851059) is 2-[1-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is C1CC(C1)(CC(=O)O)NC(=O)N(CC(F)(F)F)C2CC2.
What is the InChIKey of 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is DTENKYCNDHMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)7-17(8-2-3-8)10(20)16-11(4-1-5-11)6-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 294.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).