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

C11H17F3N2O4 — CID 106110274

IUPAC2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOC(CNC(=O)N1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-20-8(9(17)18)6-15-10(19)16-4-2-7(3-5-16)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyKSSJORKMEUHQCB-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.07
Rot. Bonds4

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

2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 106110274) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID106110274
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOC(CNC(=O)N1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-20-8(9(17)18)6-15-10(19)16-4-2-7(3-5-16)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyKSSJORKMEUHQCB-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-Trifluoroethylcarbamoyl)morpholine-2-carboxylic acid
CID 61736047
4-(3,3,3-Trifluoropropylcarbamoyl)morpholine-2-carboxylic acid
CID 63227863
4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63834247
4-[4-(Trifluoromethyl)piperidine-1-carbonyl]morpholine-2-carboxylic acid
CID 65530989
4-[3-(Trifluoromethyl)piperidine-1-carbonyl]morpholine-2-carboxylic acid
CID 65532529
2-Hydroxy-3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66166589
2-Hydroxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66166590
2-Hydroxy-2-methyl-3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66177242
2-Hydroxy-2-methyl-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66177454
2-[2-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79463478
2-[2-[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79463574
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 105918943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid (CID 106110274) is 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid is COC(CNC(=O)N1CCC(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is KSSJORKMEUHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-20-8(9(17)18)6-15-10(19)16-4-2-7(3-5-16)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid?
2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 106110274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).