4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid

C10H15F3N2O4 — CID 114131794

IUPAC4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid
SMILESCC(CC(F)(F)F)NC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-6(4-10(11,12)13)14-9(18)15-2-3-19-7(5-15)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyALVZKTMJQHXYFL-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.82
Rot. Bonds3

About 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid

4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid (PubChem CID 114131794) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid
PubChem CID114131794
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid
SMILESCC(CC(F)(F)F)NC(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-6(4-10(11,12)13)14-9(18)15-2-3-19-7(5-15)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyALVZKTMJQHXYFL-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 177749036
4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61735871
4-(2,2,2-Trifluoroethylcarbamoyl)morpholine-2-carboxylic acid
CID 61736047
4-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736075
4-[Propyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736267
4-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736268
4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61738409
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-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholine-2-carboxylic acid
CID 65538707
2-Hydroxy-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164903
2-Hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164904

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid (CID 114131794) is 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid is CC(CC(F)(F)F)NC(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
The InChIKey is ALVZKTMJQHXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-6(4-10(11,12)13)14-9(18)15-2-3-19-7(5-15)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid?
4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 114131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).