1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid

C11H15F3N2O5 — CID 115918615

IUPAC1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-10(15,11(12,13)14)9(21)16-3-2-5(7(17)18)6(4-16)8(19)20/h5-6H,2-4,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyMUBXREDLPDXNLM-UHFFFAOYSA-N
MW312.24 g/mol
LogP-0.10
Rot. Bonds3

About 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid

1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918615) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918615
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Name1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-10(15,11(12,13)14)9(21)16-3-2-5(7(17)18)6(4-16)8(19)20/h5-6H,2-4,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyMUBXREDLPDXNLM-UHFFFAOYSA-N
XLogP-0.10
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid (CID 115918615) is 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid is CC(N)(C(=O)N1CCC(C(=O)O)C(C(=O)O)C1)C(F)(F)F.
What is the InChIKey of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is MUBXREDLPDXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5/c1-10(15,11(12,13)14)9(21)16-3-2-5(7(17)18)6(4-16)8(19)20/h5-6H,2-4,15H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid?
1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 312.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).