methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate

C12H18F3NO4 — CID 78964224

IUPACmethyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c1-19-11(18)4-5-16(8-9-3-2-6-20-9)10(17)7-12(13,14)15/h9H,2-8H2,1H3
InChIKeyFGXPDZQCZLCLHK-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.51
Rot. Bonds6

About methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate

methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate (PubChem CID 78964224) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate
PubChem CID78964224
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Namemethyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c1-19-11(18)4-5-16(8-9-3-2-6-20-9)10(17)7-12(13,14)15/h9H,2-8H2,1H3
InChIKeyFGXPDZQCZLCLHK-UHFFFAOYSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-[(2-methoxyacetyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 72134575
2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 61355732
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 63199305
Methyl 3-[oxolan-2-ylmethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoate
CID 78964089
Methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 78964217
Methyl 3-[2,2-difluoroethyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964573
Methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropyl)amino]propanoate
CID 79003167
Methyl 3-[oxolan-2-ylmethyl(4,4,4-trifluorobutanoyl)amino]propanoate
CID 79036078
Methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
CID 80601927
Methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
CID 81338559
3-{2,2,2-trifluoro-N-[(oxolan-2-yl)methyl]acetamido}propanoic acid
CID 82325842

Frequently Asked Questions

What is the IUPAC name of methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The IUPAC name of methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate (CID 78964224) is methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate is COC(=O)CCN(CC1CCCO1)C(=O)CC(F)(F)F.
What is the InChIKey of methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The InChIKey is FGXPDZQCZLCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-19-11(18)4-5-16(8-9-3-2-6-20-9)10(17)7-12(13,14)15/h9H,2-8H2,1H3.
What are the key properties of methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate has a molecular weight of 297.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[oxolan-2-ylmethyl(3,3,3-trifluoropropanoyl)amino]propanoate is sourced from PubChem (CID 78964224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).