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

C9H13F3N2O3 — CID 87264815

IUPAC(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNC(=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)/t6-/m0/s1
InChIKeyWGWUKKXAQUDEMQ-LURJTMIESA-N
MW254.21 g/mol
LogP1.20
Rot. Bonds2

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

(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 87264815) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID87264815
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1CNC(=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)/t6-/m0/s1
InChIKeyWGWUKKXAQUDEMQ-LURJTMIESA-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

Analyze (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid (CID 87264815) is (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCC[C@H]1CNC(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is WGWUKKXAQUDEMQ-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid?
(2S)-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 (2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87264815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).