benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate

C12H14N2O3 — CID 70415779

IUPACbenzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8-10(11(15)13-8)14-12(16)17-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,15)(H,14,16)/t8-,10+/m1/s1
InChIKeyNLIIGHUGRWVWMF-SCZZXKLOSA-N
MW234.25 g/mol
LogP0.80
Rot. Bonds3

About benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate

benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate (PubChem CID 70415779) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
PubChem CID70415779
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namebenzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H]1NC(=O)[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-8-10(11(15)13-8)14-12(16)17-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,15)(H,14,16)/t8-,10+/m1/s1
InChIKeyNLIIGHUGRWVWMF-SCZZXKLOSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
(4-cyclohexylphenyl)methyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281286
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
benzyl N-[(2R,3S,4S)-2-(2-chlorophenyl)-4-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 154598009
potassium (2S,3S)-2-methyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonate
CID 23708792
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate (CID 70415779) is benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate is C[C@H]1NC(=O)[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
The InChIKey is NLIIGHUGRWVWMF-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-10(11(15)13-8)14-12(16)17-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,15)(H,14,16)/t8-,10+/m1/s1.
What are the key properties of benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate?
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate has a molecular weight of 234.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 70415779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).