2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid

C9H11F3N2O4 — CID 119350377

IUPAC2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h4-5H,1-3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyIRLSECNIQSLJLP-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.36
Rot. Bonds3

About 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid

2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 119350377) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID119350377
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h4-5H,1-3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyIRLSECNIQSLJLP-UHFFFAOYSA-N
XLogP-0.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid (CID 119350377) is 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is IRLSECNIQSLJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h4-5H,1-3H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid?
2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 268.19 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119350377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).