2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H19F3N2O3 — CID 64817327

IUPAC2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-5-3-4-8(9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJWUYNUWAQWINPT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds4

About 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64817327) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64817327
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-5-3-4-8(9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJWUYNUWAQWINPT-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64817327) is 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JWUYNUWAQWINPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7(2)17(6-12(13,14)15)11(20)16-9-5-3-4-8(9)10(18)19/h7-9H,3-6H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).