2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C8H11F3N2O5 — CID 63644773

IUPAC2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H11F3N2O5/c1-12(4-8(9,10)11)7(18)13(2-5(14)15)3-6(16)17/h2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyFUFSUWOSGWIRAS-UHFFFAOYSA-N
MW272.18 g/mol
LogP0.07
Rot. Bonds5

About 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 63644773) has the molecular formula C8H11F3N2O5 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID63644773
Molecular FormulaC8H11F3N2O5
Molecular Weight272.18 g/mol
Exact Mass272.06
IUPAC Name2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H11F3N2O5/c1-12(4-8(9,10)11)7(18)13(2-5(14)15)3-6(16)17/h2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyFUFSUWOSGWIRAS-UHFFFAOYSA-N
XLogP0.07
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 63644773) is 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CN(CC(F)(F)F)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is FUFSUWOSGWIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O5/c1-12(4-8(9,10)11)7(18)13(2-5(14)15)3-6(16)17/h2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 272.18 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63644773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).