(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid

C10H15F3N2O3 — CID 156540688

IUPAC(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](CCNC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)8(16)14-4-3-7-2-1-5-15(6-7)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyITGNSRAPTBNBIF-ZETCQYMHSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds3

About (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid

(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 156540688) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
PubChem CID156540688
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](CCNC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)8(16)14-4-3-7-2-1-5-15(6-7)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)/t7-/m0/s1
InChIKeyITGNSRAPTBNBIF-ZETCQYMHSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid (CID 156540688) is (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC[C@@H](CCNC(=O)C(F)(F)F)C1.
What is the InChIKey of (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is ITGNSRAPTBNBIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)8(16)14-4-3-7-2-1-5-15(6-7)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
(3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 156540688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).