2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O5 — CID 104764309

IUPAC2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC1(CNC(=O)N(CC(=O)O)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H17F3N2O5/c1-20-10(2-3-21-7-10)5-15-9(19)16(4-8(17)18)6-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJZFVHEPXMKPZMD-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.45
Rot. Bonds6

About 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 104764309) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID104764309
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC1(CNC(=O)N(CC(=O)O)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H17F3N2O5/c1-20-10(2-3-21-7-10)5-15-9(19)16(4-8(17)18)6-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJZFVHEPXMKPZMD-UHFFFAOYSA-N
XLogP0.45
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

2-[Oxolan-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265902
2-[(2-Methyloxolan-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80194638
3,3,3-Trifluoro-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 104764174
2-[(2-Methyloxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 105744394
2-[(2-Ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114943618
(3S,4S)-1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122010071
(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid
CID 104764145
2-[Ethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
CID 104764146
2-[2-Methoxyethyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
CID 104764154
3-[Tert-butyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]propanoic acid
CID 104764160
2-[Cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
CID 104764165
2-[(3-Methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 104764167

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 104764309) is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is COC1(CNC(=O)N(CC(=O)O)CC(F)(F)F)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JZFVHEPXMKPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c1-20-10(2-3-21-7-10)5-15-9(19)16(4-8(17)18)6-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 314.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 104764309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).