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

C8H13F3N2O3 — CID 79258579

IUPAC2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-7(2,12)6(16)13(3-5(14)15)4-8(9,10)11/h3-4,12H2,1-2H3,(H,14,15)
InChIKeyWWPRBDLBFGISFF-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.20
Rot. Bonds4

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

2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258579) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258579
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-7(2,12)6(16)13(3-5(14)15)4-8(9,10)11/h3-4,12H2,1-2H3,(H,14,15)
InChIKeyWWPRBDLBFGISFF-UHFFFAOYSA-N
XLogP0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-alanyl-L-alanine trifluoroacetate
CID 49796171
(R)-2-((R)-2-Aminopropanamido)propanoic acid 2,2,2-trifluoroacetate
CID 49796169
N-trifluoroacetyl alanyl glycine
CID 137552848
2-Methylalanylglycine
CID 61264667
N-(Trifluoroacetyl)-L-alanyl-L-alanine
CID 13798981
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
CID 19827986
2-amino-N,N,2-trimethyl propanamide trifluoroacetate
CID 86625724
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
[(2R)-3-amino-1,1,1-trifluoro-3-oxopropan-2-yl]-tert-butylcarbamic acid
CID 89537510
(3-Amino-1,1,1-trifluoro-3-oxopropan-2-yl)-tert-butylcarbamic acid
CID 89537512
[2-Methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 90216497

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258579) is 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)(N)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WWPRBDLBFGISFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-7(2,12)6(16)13(3-5(14)15)4-8(9,10)11/h3-4,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).