methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate

C10H16F3NO3 — CID 60794156

IUPACmethyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCCC(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-4-8(15)14(7-10(11,12)13)6-5-9(16)17-2/h3-7H2,1-2H3
InChIKeyUHZPLQYAVDYSMX-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.74
Rot. Bonds6

About methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60794156) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60794156
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCCC(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-3-4-8(15)14(7-10(11,12)13)6-5-9(16)17-2/h3-7H2,1-2H3
InChIKeyUHZPLQYAVDYSMX-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
methyl 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 81172635
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992609
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
methyl 3-[[(2S)-2-amino-3-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61172693
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61164154
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63122134

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate (CID 60794156) is methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate is CCCC(=O)N(CCC(=O)OC)CC(F)(F)F.
What is the InChIKey of methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is UHZPLQYAVDYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-4-8(15)14(7-10(11,12)13)6-5-9(16)17-2/h3-7H2,1-2H3.
What are the key properties of methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60794156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).