2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

C10H17F3N2O3 — CID 79268960

IUPAC2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)15(5-8(17)18)4-7(16)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFXLABZGVKMAYHQ-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.85
Rot. Bonds5

About 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid

2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 79268960) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID79268960
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)15(5-8(17)18)4-7(16)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFXLABZGVKMAYHQ-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Methyl({[(propan-2-yl)carbamoyl]methyl})amino]acetic acid
CID 7130737
Tert-butyl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamic acid
CID 53249925
N-tert-butyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 69793201
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87130167
Tert-butyl-[2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
CID 87189265
N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 87410217
tert-butyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869707
tert-butyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87869836
tert-butyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87869870
2-[2-[(2,2,2-Trifluoroacetyl)amino]ethylamino]acetic acid
CID 88135921
Tert-butyl-[2-(methylamino)ethyl]carbamic acid;2,2,2-trifluoroacetic acid;hydrochloride
CID 89155374

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 79268960) is 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is FXLABZGVKMAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)15(5-8(17)18)4-7(16)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 79268960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).