2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid

C13H21F3N2O3 — CID 64702452

IUPAC2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)11(21)17-12(7-10(19)20)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySPBZNGFRLKYMTE-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64702452) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64702452
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)11(21)17-12(7-10(19)20)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySPBZNGFRLKYMTE-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64702452) is 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid is CC(C)N(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is SPBZNGFRLKYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)11(21)17-12(7-10(19)20)5-3-4-6-12/h9H,3-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 310.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).