2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid

C14H18FNO3 — CID 116684119

IUPAC2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCOc1cccc(CN2CC(C(C)C(=O)O)C2)c1F
InChIInChI=1S/C14H18FNO3/c1-9(14(17)18)11-7-16(8-11)6-10-4-3-5-12(19-2)13(10)15/h3-5,9,11H,6-8H2,1-2H3,(H,17,18)
InChIKeyFUDFAONFDJADOG-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid

2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684119) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116684119
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCOc1cccc(CN2CC(C(C)C(=O)O)C2)c1F
InChIInChI=1S/C14H18FNO3/c1-9(14(17)18)11-7-16(8-11)6-10-4-3-5-12(19-2)13(10)15/h3-5,9,11H,6-8H2,1-2H3,(H,17,18)
InChIKeyFUDFAONFDJADOG-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1-[(3R,4S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134699783
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
2-[1-(2,6-dimethoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116681214
3-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324318
2-[(2-fluoro-3-methoxyphenyl)methylsulfinyl]propanoic acid
CID 104794331
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid (CID 116684119) is 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid is COc1cccc(CN2CC(C(C)C(=O)O)C2)c1F.
What is the InChIKey of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is FUDFAONFDJADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(14(17)18)11-7-16(8-11)6-10-4-3-5-12(19-2)13(10)15/h3-5,9,11H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 267.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).