(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

C11H17F3N2O3 — CID 87890861

IUPAC(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC1(C)CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-10(2)4-3-7(16(6-10)9(18)19)5-15-8(17)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19)/t7-/m0/s1
InChIKeyGKTWRVVELLIPET-ZETCQYMHSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds2

About (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid

(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 87890861) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID87890861
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC1(C)CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-10(2)4-3-7(16(6-10)9(18)19)5-15-8(17)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19)/t7-/m0/s1
InChIKeyGKTWRVVELLIPET-ZETCQYMHSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (CID 87890861) is (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is CC1(C)CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)O)C1.
What is the InChIKey of (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is GKTWRVVELLIPET-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(2)4-3-7(16(6-10)9(18)19)5-15-8(17)11(12,13)14/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
(2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87890861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).