2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid

C9H13F3N2O3 — CID 79812140

IUPAC2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid
SMILESCC(N)(C(=O)N1CC(CC(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-5(4-14)2-6(15)16/h5H,2-4,13H2,1H3,(H,15,16)
InChIKeyUZBRAWLGRARLRR-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.20
Rot. Bonds3

About 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid

2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid (PubChem CID 79812140) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid
PubChem CID79812140
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid
SMILESCC(N)(C(=O)N1CC(CC(=O)O)C1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-5(4-14)2-6(15)16/h5H,2-4,13H2,1H3,(H,15,16)
InChIKeyUZBRAWLGRARLRR-UHFFFAOYSA-N
XLogP0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid (CID 79812140) is 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid is CC(N)(C(=O)N1CC(CC(=O)O)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid?
The InChIKey is UZBRAWLGRARLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-8(13,9(10,11)12)7(17)14-3-5(4-14)2-6(15)16/h5H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid?
2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 79812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).