2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid

C12H14F2N2O2 — CID 107142600

IUPAC2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2ccc(F)cc2F)CNC1
InChIInChI=1S/C12H14F2N2O2/c13-9-2-1-8(10(14)3-9)5-16-12(4-11(17)18)6-15-7-12/h1-3,15-16H,4-7H2,(H,17,18)
InChIKeyNSBQMCKJZHFBFA-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid

2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid (PubChem CID 107142600) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
PubChem CID107142600
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2ccc(F)cc2F)CNC1
InChIInChI=1S/C12H14F2N2O2/c13-9-2-1-8(10(14)3-9)5-16-12(4-11(17)18)6-15-7-12/h1-3,15-16H,4-7H2,(H,17,18)
InChIKeyNSBQMCKJZHFBFA-UHFFFAOYSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142864
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142225
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
CID 107143252
4-[(2,4-difluorophenyl)methylamino]butanoic acid
CID 60782740
1-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451560
2-[3-[2-fluoro-5-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142669
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid (CID 107142600) is 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCc2ccc(F)cc2F)CNC1.
What is the InChIKey of 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid?
The InChIKey is NSBQMCKJZHFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-9-2-1-8(10(14)3-9)5-16-12(4-11(17)18)6-15-7-12/h1-3,15-16H,4-7H2,(H,17,18).
What are the key properties of 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid?
2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid has a molecular weight of 256.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).