methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate

C10H15F3N2O4 — CID 26793032

IUPACmethyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-5(14-7(17)10(11,12)13)6(16)15-9(2,3)8(18)19-4/h5H,1-4H3,(H,14,17)(H,15,16)/t5-/m0/s1
InChIKeyPJAZGIKUIXJRRG-YFKPBYRVSA-N
MW284.23 g/mol
LogP0.12
Rot. Bonds4

About methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate

methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate (PubChem CID 26793032) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate
PubChem CID26793032
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Namemethyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O4/c1-5(14-7(17)10(11,12)13)6(16)15-9(2,3)8(18)19-4/h5H,1-4H3,(H,14,17)(H,15,16)/t5-/m0/s1
InChIKeyPJAZGIKUIXJRRG-YFKPBYRVSA-N
XLogP0.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate (CID 26793032) is methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate?
The InChIKey is PJAZGIKUIXJRRG-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-5(14-7(17)10(11,12)13)6(16)15-9(2,3)8(18)19-4/h5H,1-4H3,(H,14,17)(H,15,16)/t5-/m0/s1.
What are the key properties of methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate?
methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate has a molecular weight of 284.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate is sourced from PubChem (CID 26793032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).