2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H19F3N2O5 — CID 79263711

IUPAC2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O5/c1-20-5-3-15(4-6-21-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-8H2,1-2H3,(H,17,18)
InChIKeyGYABQCJORVJWNI-UHFFFAOYSA-N
MW316.28 g/mol
LogP0.65
Rot. Bonds9

About 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263711) has the molecular formula C11H19F3N2O5 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263711
Molecular FormulaC11H19F3N2O5
Molecular Weight316.28 g/mol
Exact Mass316.12
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O5/c1-20-5-3-15(4-6-21-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-8H2,1-2H3,(H,17,18)
InChIKeyGYABQCJORVJWNI-UHFFFAOYSA-N
XLogP0.65
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79386395
2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283178
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265653
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263920
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263711) is 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is COCCN(CCOC)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GYABQCJORVJWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O5/c1-20-5-3-15(4-6-21-2)10(19)16(7-9(17)18)8-11(12,13)14/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 316.28 g/mol, XLogP of 0.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).