2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

C7H10F3NO3 — CID 115427268

IUPAC2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-6(2,5(13)14)3-11-4(12)7(8,9)10/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLZYKKRNCQUINCC-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.78
Rot. Bonds3

About 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 115427268) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID115427268
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-6(2,5(13)14)3-11-4(12)7(8,9)10/h3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLZYKKRNCQUINCC-UHFFFAOYSA-N
XLogP0.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-beta-alanine
CID 76406
3-(Trifluoroacetamido)propanoic acid
CID 276735
3-Acetamido-2,2-dimethylpropanoic acid
CID 79006608
3-[(2,2-Dimethylpropanoyl)amino]propanoic acid
CID 16227981
3-Acetamido-2-methylpropanoic acid
CID 11665431
2-Methyl-3-(2,2,2-trifluoroacetamido)propanoic acid
CID 13880527
3-(Trifluoroacetamido)butanoic acid
CID 13880529
3-Difluoromethyl-3-(1-oxo-ethylamino) propionic acid
CID 20508351
Propanoic acid, 2,2-dimethyl-3-oxo-3-[(2,2,3,3,3-pentafluoropropyl)amino]-
CID 21072482
2,2-dimethyl-N-(3,3,4,4,4-pentafluoro-butyl)-malonamic acid
CID 21072483
2-fluoro-2-methyl-N-(2,2,3,3,3-pentafluoro-propyl)-malonamic acid
CID 21072487
2-Methyl-N-(2,2,3,3,3-pentafluoro-propyl)-malonamic acid
CID 21072494

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 115427268) is 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid is CC(C)(CNC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is LZYKKRNCQUINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-6(2,5(13)14)3-11-4(12)7(8,9)10/h3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 115427268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).