2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H15F3N2O5 — CID 79266126

IUPAC2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O5/c1-3-20-8(18)5-14(2)9(19)15(4-7(16)17)6-10(11,12)13/h3-6H2,1-2H3,(H,16,17)
InChIKeySHVDNZQZOHDUAX-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.55
Rot. Bonds6

About 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266126) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266126
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O5/c1-3-20-8(18)5-14(2)9(19)15(4-7(16)17)6-10(11,12)13/h3-6H2,1-2H3,(H,16,17)
InChIKeySHVDNZQZOHDUAX-UHFFFAOYSA-N
XLogP0.55
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266126) is 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCOC(=O)CN(C)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SHVDNZQZOHDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c1-3-20-8(18)5-14(2)9(19)15(4-7(16)17)6-10(11,12)13/h3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 300.23 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).