methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate

C9H14F3NO4 — CID 65173620

IUPACmethyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-3-4-13(5-7(14)16-2)8(15)17-6-9(10,11)12/h3-6H2,1-2H3
InChIKeyGYKOXVOMYOFHJS-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.57
Rot. Bonds5

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

methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (PubChem CID 65173620) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
PubChem CID65173620
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Namemethyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-3-4-13(5-7(14)16-2)8(15)17-6-9(10,11)12/h3-6H2,1-2H3
InChIKeyGYKOXVOMYOFHJS-UHFFFAOYSA-N
XLogP1.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 55208202
methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113230187
2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
CID 65173618
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 61068983
2-[bis(2-methoxy-2-oxoethyl)carbamoyl-propylamino]acetic acid
CID 62956267
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[amino(propyl)amino]acetate
CID 123689793
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (CID 65173620) is methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is CCCN(CC(=O)OC)C(=O)OCC(F)(F)F.
What is the InChIKey of methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The InChIKey is GYKOXVOMYOFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-3-4-13(5-7(14)16-2)8(15)17-6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate has a molecular weight of 257.21 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is sourced from PubChem (CID 65173620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).