2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid

C14H19NO4 — CID 64615889

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
SMILESCOc1ccc(CN2CC(CC(=O)O)C2)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-4-3-10(5-13(12)19-2)7-15-8-11(9-15)6-14(16)17/h3-5,11H,6-9H2,1-2H3,(H,16,17)
InChIKeySTZXIYMBGOEDFX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds6

About 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid

2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid (PubChem CID 64615889) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
PubChem CID64615889
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
SMILESCOc1ccc(CN2CC(CC(=O)O)C2)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-4-3-10(5-13(12)19-2)7-15-8-11(9-15)6-14(16)17/h3-5,11H,6-9H2,1-2H3,(H,16,17)
InChIKeySTZXIYMBGOEDFX-UHFFFAOYSA-N
XLogP1.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
2-[1-[(3-cyano-4-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65341123
3-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83980735
2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
CID 64604545
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
2-[1-[(4-methylsulfanylphenyl)methyl]azetidin-3-yl]acetic acid
CID 64618526
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
2-[1-[(2-chloro-6-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 104818988
2-[5-[[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]methyl]-2-methoxyphenoxy]acetic acid
CID 122559253

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid (CID 64615889) is 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid is COc1ccc(CN2CC(CC(=O)O)C2)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is STZXIYMBGOEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-4-3-10(5-13(12)19-2)7-15-8-11(9-15)6-14(16)17/h3-5,11H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64615889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).