2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid

C10H15F3N2O4 — CID 66166590

IUPAC2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-1-3-15(4-2-6)9(19)14-5-7(16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18)
InChIKeyANJJRPRTNQXPSJ-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.42
Rot. Bonds3

About 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid

2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 66166590) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID66166590
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)C(O)CNC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-1-3-15(4-2-6)9(19)14-5-7(16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18)
InChIKeyANJJRPRTNQXPSJ-UHFFFAOYSA-N
XLogP0.42
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid (CID 66166590) is 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid is O=C(O)C(O)CNC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is ANJJRPRTNQXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)6-1-3-15(4-2-6)9(19)14-5-7(16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18).
What are the key properties of 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 284.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 66166590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).