methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate

C9H14F3NO3 — CID 61010157

IUPACmethyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-13(5-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyISVBWQAFSASTBH-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.35
Rot. Bonds5

About methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate

methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate (PubChem CID 61010157) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
PubChem CID61010157
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-13(5-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyISVBWQAFSASTBH-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[ethyl(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 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
methyl 3-[ethyl(hept-6-ynoyl)amino]propanoate
CID 103908144
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
CID 118123540
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate (CID 61010157) is methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)CC(F)(F)F.
What is the InChIKey of methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
The InChIKey is ISVBWQAFSASTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-3-13(5-4-8(15)16-2)7(14)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate?
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate has a molecular weight of 241.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate is sourced from PubChem (CID 61010157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).