1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid

C10H15F3N2O3 — CID 43440792

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
SMILESO=C(CN1CCCC(C(=O)O)C1)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-2-7(4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyCZJXAUXAZUDYGH-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid (PubChem CID 43440792) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
PubChem CID43440792
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
SMILESO=C(CN1CCCC(C(=O)O)C1)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-2-7(4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyCZJXAUXAZUDYGH-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Aminopropanoyl)piperidine-3-carboxylic acid hydrochloride
CID 132344115
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
2-Oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 43431235
(3R,5S)-5-(3,3,3-trifluoropropylamino)piperidine-1,3-dicarboxylic acid
CID 68431320
(5R)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 170340541
1-(2-Amino-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385909
1-(3,3,3-Trifluoropropanoyl)piperidine-3-carboxylic acid
CID 16770385
(3R,5R)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 28820560
(3S,5R)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 28820562
(3R,5S)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 28820564
(3S,5S)-2-oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 28820566
(3R)-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylic acid
CID 29893418

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid (CID 43440792) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid is O=C(CN1CCCC(C(=O)O)C1)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid?
The InChIKey is CZJXAUXAZUDYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-2-7(4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).