benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate

C15H18N2O4 — CID 142435325

IUPACbenzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate
SMILESO=C(NC1COC1)C1CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-14(16-13-9-20-10-13)12-6-17(7-12)15(19)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,18)
InChIKeyALGXRZOMNSXTPN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.77
Rot. Bonds4

About benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate

benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate (PubChem CID 142435325) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate
PubChem CID142435325
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namebenzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate
SMILESO=C(NC1COC1)C1CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-14(16-13-9-20-10-13)12-6-17(7-12)15(19)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,18)
InChIKeyALGXRZOMNSXTPN-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(methylsulfonylcarbamoyl)azetidine-1-carboxylate
CID 139367483
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl (1S,5S)-6-(azetidin-3-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 171674676
benzyl (2R,6R)-2,6-bis(iodomethyl)morpholine-4-carboxylate
CID 99564646
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
CID 45072504
benzyl (1R,5R)-7-oxo-6-oxa-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 102264136

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate?
The IUPAC name of benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate (CID 142435325) is benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate is O=C(NC1COC1)C1CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate?
The InChIKey is ALGXRZOMNSXTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(16-13-9-20-10-13)12-6-17(7-12)15(19)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,18).
What are the key properties of benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate?
benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(oxetan-3-ylcarbamoyl)azetidine-1-carboxylate is sourced from PubChem (CID 142435325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).