methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate

C9H14F3NO3 — CID 55208202

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

About methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate

methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 55208202) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID55208202
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-3-4-13(6-8(15)16-2)7(14)5-9(10,11)12/h3-6H2,1-2H3
InChIKeyUISLILNGBJLNPY-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

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Related Compounds

methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113230187
methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
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methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
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methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate (CID 55208202) is methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate is CCCN(CC(=O)OC)C(=O)CC(F)(F)F.
What is the InChIKey of methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is UISLILNGBJLNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-3-4-13(6-8(15)16-2)7(14)5-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate?
methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate 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 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 55208202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).