2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid

C8H14F2N2O3 — CID 106178230

IUPAC2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC(F)(F)CO)CNC1
InChIInChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(1-6(14)15)2-11-3-7/h11-13H,1-5H2,(H,14,15)
InChIKeyWYLUAHPLRIHFQH-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.98
Rot. Bonds6

About 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid

2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid (PubChem CID 106178230) has the molecular formula C8H14F2N2O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid
PubChem CID106178230
Molecular FormulaC8H14F2N2O3
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC Name2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCC(F)(F)CO)CNC1
InChIInChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(1-6(14)15)2-11-3-7/h11-13H,1-5H2,(H,14,15)
InChIKeyWYLUAHPLRIHFQH-UHFFFAOYSA-N
XLogP-0.98
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid (CID 106178230) is 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCC(F)(F)CO)CNC1.
What is the InChIKey of 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is WYLUAHPLRIHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(1-6(14)15)2-11-3-7/h11-13H,1-5H2,(H,14,15).
What are the key properties of 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid?
2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 224.21 g/mol, XLogP of -0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-difluoro-3-hydroxypropyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106178230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).