2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C11H19F3N2O3 — CID 79798231

IUPAC2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(N)C(C)(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2,9(3,4)15)6(17)16-10(5,7(18)19)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyBSSXMTOLMSTABV-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.27
Rot. Bonds4

About 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798231) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798231
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(N)C(C)(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(2,9(3,4)15)6(17)16-10(5,7(18)19)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyBSSXMTOLMSTABV-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)propanoic acid
CID 114037966
3,3,3-trifluoro-2-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]propanoic acid
CID 80550565
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylbutanamide
CID 65269732
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
2-[(5-amino-5-oxopentyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106239078
2-(butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793296
3,3,3-trifluoro-2-methyl-2-(4,4,4-trifluorobutylamino)propanoic acid
CID 115514712
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360
2-[(4-amino-2-methylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80544124
3,3,3-trifluoro-2-methyl-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 79793601
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3,3,3-trifluoro-2-methyl-2-(propylcarbamoylamino)propanoic acid
CID 79793400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798231) is 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(C)(N)C(C)(C)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is BSSXMTOLMSTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(2,9(3,4)15)6(17)16-10(5,7(18)19)11(12,13)14/h15H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).