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

C12H19F3N2O3 — CID 79851139

IUPAC2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-6-17(8-12(13,14)15)10(20)16-11(4-3-5-11)7-9(18)19/h2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNAELHFRMHUZZSQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.37
Rot. Bonds6

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

2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79851139) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79851139
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-6-17(8-12(13,14)15)10(20)16-11(4-3-5-11)7-9(18)19/h2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyNAELHFRMHUZZSQ-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid (CID 79851139) is 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is CCCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is NAELHFRMHUZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-6-17(8-12(13,14)15)10(20)16-11(4-3-5-11)7-9(18)19/h2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).