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

C7H11F3N2O3 — CID 43442388

IUPAC2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-12(3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyVCPTWDHISMFZFU-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.32
Rot. Bonds5

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

2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (PubChem CID 43442388) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
PubChem CID43442388
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-12(3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15)
InChIKeyVCPTWDHISMFZFU-UHFFFAOYSA-N
XLogP-0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycylglycine
CID 11163
Glycylsarcosine
CID 93131
Glycylglycylglycine
CID 11161
N-(trifluoroacetyl)aminoacetic acid
CID 136227
N-Acetylglycylglycine
CID 97591
[14C]GlySar
CID 73755101
Glycine, glycylglycyl-N-methyl-
CID 333408
[11C]Glycylsarcosine
CID 24971238
Glycylglycine Hydrochloride
CID 83095
Sar-sar-OH
CID 7020237
Sar-Gly-OH
CID 7021859
N-Acetyltriglycine
CID 14252395

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid (CID 43442388) is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is CN(CC(=O)O)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
The InChIKey is VCPTWDHISMFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-12(3-6(14)15)2-5(13)11-4-7(8,9)10/h2-4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43442388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).