2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H15F3N2O3 — CID 79811378

IUPAC2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-8(2,13)7(17)14(4-6(15)16)5-9(10,11)12/h3-5,13H2,1-2H3,(H,15,16)
InChIKeyFTIQCJBANWFVOR-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.59
Rot. Bonds5

About 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79811378) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79811378
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-8(2,13)7(17)14(4-6(15)16)5-9(10,11)12/h3-5,13H2,1-2H3,(H,15,16)
InChIKeyFTIQCJBANWFVOR-UHFFFAOYSA-N
XLogP0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107472383
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263920
2-[3-acetamidopropanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258622
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79811378) is 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FTIQCJBANWFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-3-8(2,13)7(17)14(4-6(15)16)5-9(10,11)12/h3-5,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79811378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).