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

C8H13F3N2O3 — CID 61204969

IUPAC2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-3-13(4-6(14)15)7(16)12(2)5-8(9,10)11/h3-5H2,1-2H3,(H,14,15)
InChIKeyPBFOYWWZYQKLPB-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.01
Rot. Bonds4

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

2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 61204969) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID61204969
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-3-13(4-6(14)15)7(16)12(2)5-8(9,10)11/h3-5H2,1-2H3,(H,14,15)
InChIKeyPBFOYWWZYQKLPB-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 61204969) is 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is PBFOYWWZYQKLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-3-13(4-6(14)15)7(16)12(2)5-8(9,10)11/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 242.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61204969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).