2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid

C12H12F2N2O3 — CID 146492097

IUPAC2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCN1c1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2O3/c13-7-1-2-8(14)10(5-7)16-4-3-9(16)12(19)15-6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18)/t9-/m0/s1
InChIKeyOSAXBYQJCVLFKU-VIFPVBQESA-N
MW270.23 g/mol
LogP0.74
Rot. Bonds4

About 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid

2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid (PubChem CID 146492097) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid
PubChem CID146492097
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCN1c1cc(F)ccc1F
InChIInChI=1S/C12H12F2N2O3/c13-7-1-2-8(14)10(5-7)16-4-3-9(16)12(19)15-6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18)/t9-/m0/s1
InChIKeyOSAXBYQJCVLFKU-VIFPVBQESA-N
XLogP0.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid (CID 146492097) is 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1CCN1c1cc(F)ccc1F.
What is the InChIKey of 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid?
The InChIKey is OSAXBYQJCVLFKU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-7-1-2-8(14)10(5-7)16-4-3-9(16)12(19)15-6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid?
2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid has a molecular weight of 270.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(2,5-difluorophenyl)azetidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 146492097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).