3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

C11H17F3N2O4 — CID 79801810

IUPAC3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-10(8(17)18,11(12,13)14)15-9(19)16(2)7-3-5-20-6-4-7/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYNVHWOZMCIEGHJ-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.21
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 79801810) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
PubChem CID79801810
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-10(8(17)18,11(12,13)14)15-9(19)16(2)7-3-5-20-6-4-7/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYNVHWOZMCIEGHJ-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(S)-4,4-Difluoro-2-[(morpholine-4-carbonyl)-amino]-pentanoic acid
CID 57535378
4,4-Difluoro-2-(morpholine-4-carbonylamino)pentanoic acid
CID 68821926
2-[3-(2,2,2-Trifluoroethoxy)propylcarbamoylamino]propanoic acid
CID 54962279
2-Methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]propanoic acid
CID 55260316
3-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylcarbamoylamino]butanoic acid
CID 61490918
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylcarbamoylamino]butanoic acid
CID 61491448
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylcarbamoylamino]propanoic acid
CID 61491449
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylcarbamoylamino]pentanoic acid
CID 61491484
2-[3-(2,2,2-Trifluoroethoxy)propylcarbamoylamino]pentanoic acid
CID 61491485
2-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 63832124
2-[Oxan-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266185
2-[[Methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266264

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (CID 79801810) is 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is CN(C(=O)NC(C)(C(=O)O)C(F)(F)F)C1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is YNVHWOZMCIEGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-10(8(17)18,11(12,13)14)15-9(19)16(2)7-3-5-20-6-4-7/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79801810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).