2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3NO2S — CID 79266359

IUPAC2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccsc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7-2-3-17-8(7)4-14(5-9(15)16)6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyJXAOCXPTFRXGPH-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.51
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266359) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266359
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1ccsc1CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7-2-3-17-8(7)4-14(5-9(15)16)6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyJXAOCXPTFRXGPH-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-Mercapto-2-methyl-propionyl)-thiophen-2-ylmethyl-amino]-acetic acid
CID 44373004
2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)acetic acid hydrochloride
CID 45791853
2-[(5-Methylthiophen-2-yl)methyl-propan-2-ylamino]acetic acid
CID 64283208
2-(6,7-Dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid
CID 16770322
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanoic acid
CID 152198782
N-(thiophen-2-ylmethyl)propan-1-amine;2,2,2-trifluoroacetic acid
CID 177706258
2-(Thiophen-2-ylmethylamino)acetic acid
CID 3280566
(E)-3-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 61731005
2,2,2-trifluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 62491824
1-[(3-Methylthiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061112
2,2,2-trifluoroethyl N-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 65168936
3-[4-[[Methyl(3,3,3-trifluoropropanoyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76909962

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266359) is 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1ccsc1CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JXAOCXPTFRXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-7-2-3-17-8(7)4-14(5-9(15)16)6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 267.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).