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

C8H13F3N2O4 — CID 79265653

IUPAC2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CCO)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-12(2-3-14)7(17)13(4-6(15)16)5-8(9,10)11/h14H,2-5H2,1H3,(H,15,16)
InChIKeySABRMSDEFHJVOU-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.02
Rot. Bonds5

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

2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265653) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265653
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CCO)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O4/c1-12(2-3-14)7(17)13(4-6(15)16)5-8(9,10)11/h14H,2-5H2,1H3,(H,15,16)
InChIKeySABRMSDEFHJVOU-UHFFFAOYSA-N
XLogP-0.02
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Ethyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009519
2-[Methyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009616
2-[Ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55009948
2-[Methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 55010000
2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid
CID 55135906
2-[Methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 60890651
2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61204584
2-[Ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61204969
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-propylamino]acetic acid
CID 61606727
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]acetic acid
CID 61606784
2-[Propyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607505
2-[Carboxymethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 63644773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265653) is 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(CCO)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SABRMSDEFHJVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c1-12(2-3-14)7(17)13(4-6(15)16)5-8(9,10)11/h14H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 258.20 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).