2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid

C11H12F2N2O2 — CID 107142265

IUPAC2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2cc(F)cc(F)c2)CNC1
InChIInChI=1S/C11H12F2N2O2/c12-7-1-8(13)3-9(2-7)15-11(4-10(16)17)5-14-6-11/h1-3,14-15H,4-6H2,(H,16,17)
InChIKeyVDUGOXJKLDHQKV-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.19
Rot. Bonds4

About 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid

2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid (PubChem CID 107142265) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
PubChem CID107142265
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nc2cc(F)cc(F)c2)CNC1
InChIInChI=1S/C11H12F2N2O2/c12-7-1-8(13)3-9(2-7)15-11(4-10(16)17)5-14-6-11/h1-3,14-15H,4-6H2,(H,16,17)
InChIKeyVDUGOXJKLDHQKV-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142172
2-[3-(thiophen-3-ylamino)azetidin-3-yl]acetic acid
CID 107142827
2-[3-[4-bromo-3-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142772
2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142600
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)azetidin-3-yl]acetic acid
CID 107142143
2-[3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142145
2-[3-[2-fluoro-5-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142669
2-[3-(1,3-benzothiazol-6-ylamino)azetidin-3-yl]acetic acid
CID 114003256
2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142864
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(5-chloro-2-methoxyanilino)azetidin-3-yl]acetic acid
CID 107142177
2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
CID 107143038

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid (CID 107142265) is 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid is O=C(O)CC1(Nc2cc(F)cc(F)c2)CNC1.
What is the InChIKey of 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid?
The InChIKey is VDUGOXJKLDHQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-1-8(13)3-9(2-7)15-11(4-10(16)17)5-14-6-11/h1-3,14-15H,4-6H2,(H,16,17).
What are the key properties of 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid?
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid has a molecular weight of 242.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).