3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid

C10H16F3NO4 — CID 114143690

IUPAC3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid
SMILESCC1OCCC1(O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6-9(17,2-3-18-6)5-14-4-7(8(15)16)10(11,12)13/h6-7,14,17H,2-5H2,1H3,(H,15,16)
InChIKeyCBEXYSYULCEJHU-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.38
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid (PubChem CID 114143690) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid
PubChem CID114143690
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid
SMILESCC1OCCC1(O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6-9(17,2-3-18-6)5-14-4-7(8(15)16)10(11,12)13/h6-7,14,17H,2-5H2,1H3,(H,15,16)
InChIKeyCBEXYSYULCEJHU-UHFFFAOYSA-N
XLogP0.38
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid with MolForge

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Related Compounds

3,3,3-Trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid
CID 103257041
3,3,3-Trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid
CID 103266374
3,3,3-Trifluoro-2-[[(2-methyloxolan-3-yl)methylamino]methyl]propanoic acid
CID 105743164
2-Methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100897
2-Methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100920
2-Methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
CID 106101017
2-Methyl-3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
CID 106101019
3-[(2,2-Difluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106101073
2-Methyl-3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxolan-3-ol
CID 106101195
2-Methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
CID 106101267
3,3,3-Trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanoic acid
CID 106102549
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102924

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid (CID 114143690) is 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid is CC1OCCC1(O)CNCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid?
The InChIKey is CBEXYSYULCEJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-6-9(17,2-3-18-6)5-14-4-7(8(15)16)10(11,12)13/h6-7,14,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of 0.38, 5 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-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 114143690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).