methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate

C11H17F3N2O4 — CID 66236037

IUPACmethyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C11H17F3N2O4/c1-19-9(17)2-3-16(6-11(12,13)14)10(18)7-4-20-5-8(7)15/h7-8H,2-6,15H2,1H3
InChIKeyGHGMIHUUSMLXEO-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.09
Rot. Bonds5

About methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 66236037) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID66236037
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Namemethyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C11H17F3N2O4/c1-19-9(17)2-3-16(6-11(12,13)14)10(18)7-4-20-5-8(7)15/h7-8H,2-6,15H2,1H3
InChIKeyGHGMIHUUSMLXEO-UHFFFAOYSA-N
XLogP-0.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66239061
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
CID 66237461
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992609
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 115448091
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 66236037) is methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is GHGMIHUUSMLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-19-9(17)2-3-16(6-11(12,13)14)10(18)7-4-20-5-8(7)15/h7-8H,2-6,15H2,1H3.
What are the key properties of methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 298.26 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminooxolane-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 66236037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).