benzyl N-(oxetan-3-ylmethyl)carbamate

C12H15NO3 — CID 155920910

IUPACbenzyl N-(oxetan-3-ylmethyl)carbamate
SMILESO=C(NCC1COC1)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-6-11-7-15-8-11)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyTYAQTZMCHJMGMY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.56
Rot. Bonds4

About benzyl N-(oxetan-3-ylmethyl)carbamate

benzyl N-(oxetan-3-ylmethyl)carbamate (PubChem CID 155920910) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is benzyl N-(oxetan-3-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(oxetan-3-ylmethyl)carbamate
PubChem CID155920910
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namebenzyl N-(oxetan-3-ylmethyl)carbamate
SMILESO=C(NCC1COC1)OCc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-6-11-7-15-8-11)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKeyTYAQTZMCHJMGMY-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
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benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
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benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
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benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
CID 121454489
benzyl N-(thian-3-ylmethyl)carbamate
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benzyl N-[2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(oxetan-3-ylmethyl)carbamate?
The IUPAC name of benzyl N-(oxetan-3-ylmethyl)carbamate (CID 155920910) is benzyl N-(oxetan-3-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(oxetan-3-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(oxetan-3-ylmethyl)carbamate is O=C(NCC1COC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(oxetan-3-ylmethyl)carbamate?
The InChIKey is TYAQTZMCHJMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(13-6-11-7-15-8-11)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of benzyl N-(oxetan-3-ylmethyl)carbamate?
benzyl N-(oxetan-3-ylmethyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(oxetan-3-ylmethyl)carbamate is sourced from PubChem (CID 155920910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).