methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate

C15H16F3NO3 — CID 95140162

IUPACmethyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)[C@H](NC(=O)C1CCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)12(19-13(20)9-5-4-6-9)10-7-2-3-8-11(10)15(16,17)18/h2-3,7-9,12H,4-6H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyZCDQPAABKSFBCN-GFCCVEGCSA-N
MW315.29 g/mol
LogP2.84
Rot. Bonds4

About methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate

methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate (PubChem CID 95140162) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
PubChem CID95140162
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Namemethyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)[C@H](NC(=O)C1CCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)12(19-13(20)9-5-4-6-9)10-7-2-3-8-11(10)15(16,17)18/h2-3,7-9,12H,4-6H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyZCDQPAABKSFBCN-GFCCVEGCSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate (CID 95140162) is methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate is COC(=O)[C@H](NC(=O)C1CCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
The InChIKey is ZCDQPAABKSFBCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-22-14(21)12(19-13(20)9-5-4-6-9)10-7-2-3-8-11(10)15(16,17)18/h2-3,7-9,12H,4-6H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate?
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate has a molecular weight of 315.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 95140162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).