2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid

C8H14F3NO2S — CID 116616761

IUPAC2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
SMILESCCCN(CCSC(F)(F)F)CC(=O)O
InChIInChI=1S/C8H14F3NO2S/c1-2-3-12(6-7(13)14)4-5-15-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyTXANCAIEDBQRTG-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.04
Rot. Bonds7

About 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid

2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid (PubChem CID 116616761) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
PubChem CID116616761
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
SMILESCCCN(CCSC(F)(F)F)CC(=O)O
InChIInChI=1S/C8H14F3NO2S/c1-2-3-12(6-7(13)14)4-5-15-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyTXANCAIEDBQRTG-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate
CID 116617418
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
N-(2-bromoethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618150
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618077
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[N-[2-(trifluoromethylsulfanyl)ethyl]anilino]acetic acid
CID 116616747

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid (CID 116616761) is 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid is CCCN(CCSC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid?
The InChIKey is TXANCAIEDBQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-2-3-12(6-7(13)14)4-5-15-8(9,10)11/h2-6H2,1H3,(H,13,14).
What are the key properties of 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid?
2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid has a molecular weight of 245.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid is sourced from PubChem (CID 116616761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).