propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C8H12F3NO3 — CID 12641596

IUPACpropan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-4(2)15-6(13)5(3)12-7(14)8(9,10)11/h4-5H,1-3H3,(H,12,14)/t5-/m1/s1
InChIKeyZWQQFANFZOAONR-RXMQYKEDSA-N
MW227.18 g/mol
LogP1.00
Rot. Bonds3

About propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 12641596) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID12641596
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Namepropan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c1-4(2)15-6(13)5(3)12-7(14)8(9,10)11/h4-5H,1-3H3,(H,12,14)/t5-/m1/s1
InChIKeyZWQQFANFZOAONR-RXMQYKEDSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 12641596) is propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CC(C)OC(=O)[C@@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is ZWQQFANFZOAONR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-4(2)15-6(13)5(3)12-7(14)8(9,10)11/h4-5H,1-3H3,(H,12,14)/t5-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 227.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 12641596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).