benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate

C13H14N2O4 — CID 54247861

IUPACbenzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
SMILESCC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O4/c1-8(16)10-11(12(17)14-10)15-13(18)19-7-9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyQUOPKTLOPJOQGV-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.37
Rot. Bonds4

About benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate

benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate (PubChem CID 54247861) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
PubChem CID54247861
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namebenzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
SMILESCC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O4/c1-8(16)10-11(12(17)14-10)15-13(18)19-7-9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyQUOPKTLOPJOQGV-UHFFFAOYSA-N
XLogP0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 54333274
benzyl N-[(3R,4S)-4-(aminomethyl)-1-ethyl-2-oxopiperidin-3-yl]carbamate
CID 59739755
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate (CID 54247861) is benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate is CC(=O)C1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate?
The InChIKey is QUOPKTLOPJOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(16)10-11(12(17)14-10)15-13(18)19-7-9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate?
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate has a molecular weight of 262.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate is sourced from PubChem (CID 54247861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).