benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate

C12H14N2O3 — CID 90426419

IUPACbenzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CNC1=O
InChIInChI=1S/C12H14N2O3/c1-14(10-7-13-11(10)15)12(16)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)
InChIKeyNFRPLBFQBUVQDA-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds3

About benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate

benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate (PubChem CID 90426419) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
PubChem CID90426419
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namebenzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CNC1=O
InChIInChI=1S/C12H14N2O3/c1-14(10-7-13-11(10)15)12(16)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)
InChIKeyNFRPLBFQBUVQDA-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylcarbamate
CID 10781875
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl N-[(3S)-2-oxopiperidin-3-yl]-N-propylcarbamate
CID 69260154
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
(3-phenylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 140705550
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
CID 59056687
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate (CID 90426419) is benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate is CN(C(=O)OCc1ccccc1)C1CNC1=O.
What is the InChIKey of benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate?
The InChIKey is NFRPLBFQBUVQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14(10-7-13-11(10)15)12(16)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15).
What are the key properties of benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate?
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate has a molecular weight of 234.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate is sourced from PubChem (CID 90426419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).