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

C9H13F3N2O3 — CID 87264816

IUPAC2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-6-3-1-2-4-14(6)8(16)17/h6H,1-5H2,(H,13,15)(H,16,17)
InChIKeyWGWUKKXAQUDEMQ-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.20
Rot. Bonds2

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

2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 87264816) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID87264816
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-6-3-1-2-4-14(6)8(16)17/h6H,1-5H2,(H,13,15)(H,16,17)
InChIKeyWGWUKKXAQUDEMQ-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (CID 87264816) is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCCC1CNC(=O)C(F)(F)F.
What is the InChIKey of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is WGWUKKXAQUDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)7(15)13-5-6-3-1-2-4-14(6)8(16)17/h6H,1-5H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87264816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).