3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid

C11H17F3N2O4 — CID 79790560

IUPAC3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid
SMILESCC(NCC(=O)NCC1CCCO1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-10(9(18)19,11(12,13)14)16-6-8(17)15-5-7-3-2-4-20-7/h7,16H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyYGTLFMJVIOYYEV-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.28
Rot. Bonds6

About 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid (PubChem CID 79790560) 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-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid
PubChem CID79790560
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid
SMILESCC(NCC(=O)NCC1CCCO1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-10(9(18)19,11(12,13)14)16-6-8(17)15-5-7-3-2-4-20-7/h7,16H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyYGTLFMJVIOYYEV-UHFFFAOYSA-N
XLogP0.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid with MolForge

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Related Compounds

2-[2,2-difluoroethyl(methyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 75436465
2-[[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258529
3,3,3-Trifluoro-2-methyl-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 79790515
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 79791816
2-[[Ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791913
2-amino-3,3,3-trifluoro-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 79797841
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 79801101
3,3,3-Trifluoro-2-methyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 79801414
3,3,3-Trifluoro-2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 79801817
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 79805466
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 79805637
3,3,3-Trifluoro-2-methyl-2-[(2-methyloxolan-2-yl)methylcarbamoylamino]propanoic acid
CID 80195037

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid (CID 79790560) is 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid is CC(NCC(=O)NCC1CCCO1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid?
The InChIKey is YGTLFMJVIOYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-10(9(18)19,11(12,13)14)16-6-8(17)15-5-7-3-2-4-20-7/h7,16H,2-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 79790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).