benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

C20H22N2O5 — CID 54470383

IUPACbenzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(=O)OCc1ccc(OC[C@H]2CCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C20H22N2O5/c1-15(23)25-13-17-7-8-19(11-21-17)26-14-18-9-10-22(18)20(24)27-12-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyXHXRRLZUYLGOMZ-GOSISDBHSA-N
MW370.41 g/mol
LogP2.93
Rot. Bonds7

About benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate

benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (PubChem CID 54470383) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
PubChem CID54470383
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namebenzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
SMILESCC(=O)OCc1ccc(OC[C@H]2CCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C20H22N2O5/c1-15(23)25-13-17-7-8-19(11-21-17)26-14-18-9-10-22(18)20(24)27-12-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m1/s1
InChIKeyXHXRRLZUYLGOMZ-GOSISDBHSA-N
XLogP2.93
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

benzyl (2S)-2-[(6-methoxy-3-pyridinyl)oxymethyl]azetidine-1-carboxylate;2-methoxy-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70101463
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
CID 66630587
benzyl 4-bromo-2-methylpiperidine-1-carboxylate
CID 119029057
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
4-[[(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidin-2-yl]methoxy]benzoic acid
CID 66596388
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
CID 122435525
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate (CID 54470383) is benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is CC(=O)OCc1ccc(OC[C@H]2CCN2C(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is XHXRRLZUYLGOMZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-15(23)25-13-17-7-8-19(11-21-17)26-14-18-9-10-22(18)20(24)27-12-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m1/s1.
What are the key properties of benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate?
benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 54470383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).