1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid

C15H21NO3 — CID 122046690

IUPAC1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-19-14-5-3-12(4-6-14)7-16-8-13(9-16)15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,17,18)
InChIKeySXQGKAGKXMVZMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds6

About 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 122046690) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID122046690
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESCC(C)COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11(2)10-19-14-5-3-12(4-6-14)7-16-8-13(9-16)15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,17,18)
InChIKeySXQGKAGKXMVZMW-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778
1-[[4-[[4-(2,2-difluoroethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930409
1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930954
1-[[4-(5,5,5-trifluoropentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176929830
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[[4-(2-methoxy-2-oxo-1-phenylethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451879
1-[(4-prop-1-en-2-ylphenyl)methyl]azetidine-3-carboxylic acid
CID 89076293
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid (CID 122046690) is 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid is CC(C)COc1ccc(CN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is SXQGKAGKXMVZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)10-19-14-5-3-12(4-6-14)7-16-8-13(9-16)15(17)18/h3-6,11,13H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 122046690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).