1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid

C20H27NO3 — CID 176930954

IUPAC1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCC3CC4CCC(C4)C3)cc2)C1
InChIInChI=1S/C20H27NO3/c22-20(23)18-11-21(12-18)10-14-3-5-19(6-4-14)24-13-17-8-15-1-2-16(7-15)9-17/h3-6,15-18H,1-2,7-13H2,(H,22,23)
InChIKeyLWKGSNRXUIFLIL-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.41
Rot. Bonds6

About 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930954) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID176930954
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCC3CC4CCC(C4)C3)cc2)C1
InChIInChI=1S/C20H27NO3/c22-20(23)18-11-21(12-18)10-14-3-5-19(6-4-14)24-13-17-8-15-1-2-16(7-15)9-17/h3-6,15-18H,1-2,7-13H2,(H,22,23)
InChIKeyLWKGSNRXUIFLIL-UHFFFAOYSA-N
XLogP3.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
(3S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045551
1-[[4-[[4-(2,2-difluoroethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930409
1-[[4-(5,5,5-trifluoropentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176929830
(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
CID 70660865
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
1-[[4-[[4-cyclopropyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930404
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
1-[[4-(dimethylamino)phenyl]methyl]azetidine-3-carboxylic acid
CID 65072336

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid (CID 176930954) is 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(OCC3CC4CCC(C4)C3)cc2)C1.
What is the InChIKey of 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is LWKGSNRXUIFLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-20(23)18-11-21(12-18)10-14-3-5-19(6-4-14)24-13-17-8-15-1-2-16(7-15)9-17/h3-6,15-18H,1-2,7-13H2,(H,22,23).
What are the key properties of 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).