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

C10H16F3NO4 — CID 54502657

IUPACmethyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate
SMILESCOC(=O)C(C)(C)OC[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6(14-7(15)10(11,12)13)5-18-9(2,3)8(16)17-4/h6H,5H2,1-4H3,(H,14,15)/t6-/m0/s1
InChIKeyYDNOURUCTKYIMV-LURJTMIESA-N
MW271.24 g/mol
LogP1.02
Rot. Bonds5

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

methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate (PubChem CID 54502657) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate
PubChem CID54502657
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate
SMILESCOC(=O)C(C)(C)OC[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-6(14-7(15)10(11,12)13)5-18-9(2,3)8(16)17-4/h6H,5H2,1-4H3,(H,14,15)/t6-/m0/s1
InChIKeyYDNOURUCTKYIMV-LURJTMIESA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
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]propoxy]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate (CID 54502657) is methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate is COC(=O)C(C)(C)OC[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]propoxy]propanoate?
The InChIKey is YDNOURUCTKYIMV-LURJTMIESA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-6(14-7(15)10(11,12)13)5-18-9(2,3)8(16)17-4/h6H,5H2,1-4H3,(H,14,15)/t6-/m0/s1.
What are the key properties of methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate?
methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate has a molecular weight of 271.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 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]propoxy]propanoate is sourced from PubChem (CID 54502657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).