2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid

C17H19NO3 — CID 102659870

IUPAC2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H19NO3/c1-17(21-10-16(19)20)11-18(12-17)9-13-6-7-14-4-2-3-5-15(14)8-13/h2-8H,9-12H2,1H3,(H,19,20)
InChIKeyDUYKAFSSNBJWNX-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659870) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659870
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H19NO3/c1-17(21-10-16(19)20)11-18(12-17)9-13-6-7-14-4-2-3-5-15(14)8-13/h2-8H,9-12H2,1H3,(H,19,20)
InChIKeyDUYKAFSSNBJWNX-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzothiophen-3-ylmethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659440
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659234
2-[1-[(3-ethylimidazol-4-yl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659372
2-[1-[2-(4-aminophenyl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658262
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
2-[3-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658053
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid (CID 102659870) is 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is DUYKAFSSNBJWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(21-10-16(19)20)11-18(12-17)9-13-6-7-14-4-2-3-5-15(14)8-13/h2-8H,9-12H2,1H3,(H,19,20).
What are the key properties of 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).