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

C16H21NO3 — CID 176930778

IUPAC1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCC3CCC3)cc2)C1
InChIInChI=1S/C16H21NO3/c18-16(19)14-9-17(10-14)8-12-4-6-15(7-5-12)20-11-13-2-1-3-13/h4-7,13-14H,1-3,8-11H2,(H,18,19)
InChIKeyZVPNVKNQRXSYRY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds6

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

1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930778) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID176930778
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCC3CCC3)cc2)C1
InChIInChI=1S/C16H21NO3/c18-16(19)14-9-17(10-14)8-12-4-6-15(7-5-12)20-11-13-2-1-3-13/h4-7,13-14H,1-3,8-11H2,(H,18,19)
InChIKeyZVPNVKNQRXSYRY-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(3-bicyclo[3.2.1]octanylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930954
(3S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045551
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
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
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440
1-[[3-(cyclohexylmethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040637
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
cis-(1S,3R)-3-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 59134584
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid (CID 176930778) is 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(OCC3CCC3)cc2)C1.
What is the InChIKey of 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is ZVPNVKNQRXSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)14-9-17(10-14)8-12-4-6-15(7-5-12)20-11-13-2-1-3-13/h4-7,13-14H,1-3,8-11H2,(H,18,19).
What are the key properties of 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).