2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O4 — CID 79264194

IUPAC2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H19F3N2O4/c13-12(14,15)8-16(7-10(19)20)11(21)17(5-6-18)9-3-1-2-4-9/h9,18H,1-8H2,(H,19,20)
InChIKeyXTJOXZBHMRRUOW-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.29
Rot. Bonds6

About 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264194) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264194
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H19F3N2O4/c13-12(14,15)8-16(7-10(19)20)11(21)17(5-6-18)9-3-1-2-4-9/h9,18H,1-8H2,(H,19,20)
InChIKeyXTJOXZBHMRRUOW-UHFFFAOYSA-N
XLogP1.29
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264194) is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)N(CCO)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XTJOXZBHMRRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c13-12(14,15)8-16(7-10(19)20)11(21)17(5-6-18)9-3-1-2-4-9/h9,18H,1-8H2,(H,19,20).
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).