2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

C7H9F3N2O5 — CID 63645928

IUPAC2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(17)12(1-4(13)14)2-5(15)16/h1-3H2,(H,11,17)(H,13,14)(H,15,16)
InChIKeyHWUCIGSPMYWIJT-UHFFFAOYSA-N
MW258.15 g/mol
LogP-0.27
Rot. Bonds5

About 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (PubChem CID 63645928) has the molecular formula C7H9F3N2O5 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
PubChem CID63645928
Molecular FormulaC7H9F3N2O5
Molecular Weight258.15 g/mol
Exact Mass258.05
IUPAC Name2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(17)12(1-4(13)14)2-5(15)16/h1-3H2,(H,11,17)(H,13,14)(H,15,16)
InChIKeyHWUCIGSPMYWIJT-UHFFFAOYSA-N
XLogP-0.27
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
CID 114169808
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[carboxymethyl-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]amino]acetic acid
CID 63858308
methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113230187
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid (CID 63645928) is 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
The InChIKey is HWUCIGSPMYWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O5/c8-7(9,10)3-11-6(17)12(1-4(13)14)2-5(15)16/h1-3H2,(H,11,17)(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid has a molecular weight of 258.15 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63645928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).