4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

C8H11F3N2O4 — CID 87870383

IUPAC4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(15)12-4-3-13(7(16)17)2-1-5(4)14/h4-5,14H,1-3H2,(H,12,15)(H,16,17)
InChIKeyPQKQUXSQYWJNBN-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.22
Rot. Bonds1

About 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 87870383) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID87870383
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(15)12-4-3-13(7(16)17)2-1-5(4)14/h4-5,14H,1-3H2,(H,12,15)(H,16,17)
InChIKeyPQKQUXSQYWJNBN-UHFFFAOYSA-N
XLogP-0.22
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 87870383) is 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(O)C(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is PQKQUXSQYWJNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c9-8(10,11)6(15)12-4-3-13(7(16)17)2-1-5(4)14/h4-5,14H,1-3H2,(H,12,15)(H,16,17).
What are the key properties of 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 87870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).