tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate

C16H23NO3 — CID 22001466

IUPACtert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1COCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-9-14(17)12-19-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyURMVFEHVXIBDDK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate

tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate (PubChem CID 22001466) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
PubChem CID22001466
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1COCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-9-14(17)12-19-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyURMVFEHVXIBDDK-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
tert-butyl (2R,3S)-3-benzoyloxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 56989727
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 21290216
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 22840073
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 129385635
2-O-benzyl 1-O-tert-butyl (2R)-azetidine-1,2-dicarboxylate
CID 150439110
tert-butyl (2S)-2-[(4-phenylbenzoyl)oxymethyl]azetidine-1-carboxylate
CID 11303113
tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-ylpiperazine-1-carboxylate
CID 24947445

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate (CID 22001466) is tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1COCc1ccccc1.
What is the InChIKey of tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate?
The InChIKey is URMVFEHVXIBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)20-15(18)17-10-9-14(17)12-19-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate?
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 22001466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).