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

C15H20N2O4 — CID 102658501

IUPAC2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(21-9-13(18)19)10-17(11-15)14(20)16-8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyLQWWWYJNUSNCGM-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.11
Rot. Bonds6

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

2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658501) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658501
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-15(21-9-13(18)19)10-17(11-15)14(20)16-8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyLQWWWYJNUSNCGM-UHFFFAOYSA-N
XLogP1.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658865
2-[3-methyl-1-(4-methylsulfanylbutylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659152
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
2-[3-methyl-1-(3-phenylprop-2-ynoyl)azetidin-3-yl]oxyacetic acid
CID 102657096
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
2-[1-(3-amino-3-phenylpropanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658133
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657573
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid (CID 102658501) is 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is LQWWWYJNUSNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(21-9-13(18)19)10-17(11-15)14(20)16-8-7-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).