benzyl N-[1-(oxetan-3-yl)ethyl]carbamate

C13H17NO3 — CID 144719196

IUPACbenzyl N-[1-(oxetan-3-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1COC1
InChIInChI=1S/C13H17NO3/c1-10(12-8-16-9-12)14-13(15)17-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)
InChIKeyBENNMJMBIWIJIF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.95
Rot. Bonds4

About benzyl N-[1-(oxetan-3-yl)ethyl]carbamate

benzyl N-[1-(oxetan-3-yl)ethyl]carbamate (PubChem CID 144719196) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl N-[1-(oxetan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(oxetan-3-yl)ethyl]carbamate
PubChem CID144719196
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl N-[1-(oxetan-3-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1COC1
InChIInChI=1S/C13H17NO3/c1-10(12-8-16-9-12)14-13(15)17-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)
InChIKeyBENNMJMBIWIJIF-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 169081481
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benzyl N-[(1S)-1-[(2R)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate
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CID 84710780
(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
tert-butyl 4-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 154652435
benzyl 3-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;benzyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 162235352
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(oxetan-3-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(oxetan-3-yl)ethyl]carbamate (CID 144719196) is benzyl N-[1-(oxetan-3-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(oxetan-3-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(oxetan-3-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)C1COC1.
What is the InChIKey of benzyl N-[1-(oxetan-3-yl)ethyl]carbamate?
The InChIKey is BENNMJMBIWIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(12-8-16-9-12)14-13(15)17-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15).
What are the key properties of benzyl N-[1-(oxetan-3-yl)ethyl]carbamate?
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(oxetan-3-yl)ethyl]carbamate is sourced from PubChem (CID 144719196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).