2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H20F3N3O3 — CID 79263702

IUPAC2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H20F3N3O3/c1-2-18(9-3-5-16-6-4-9)11(21)17(7-10(19)20)8-12(13,14)15/h9,16H,2-8H2,1H3,(H,19,20)
InChIKeyUUUAXUFNBJGPNQ-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.13
Rot. Bonds5

About 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263702) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263702
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H20F3N3O3/c1-2-18(9-3-5-16-6-4-9)11(21)17(7-10(19)20)8-12(13,14)15/h9,16H,2-8H2,1H3,(H,19,20)
InChIKeyUUUAXUFNBJGPNQ-UHFFFAOYSA-N
XLogP1.13
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263702) is 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UUUAXUFNBJGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-2-18(9-3-5-16-6-4-9)11(21)17(7-10(19)20)8-12(13,14)15/h9,16H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(piperidin-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).