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

C13H15N3O5 — CID 13470821

IUPACbenzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate
SMILESNC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H15N3O5/c14-12(18)20-7-9-10(11(17)15-9)16-13(19)21-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,14,18)(H,15,17)(H,16,19)/t9-,10+/m0/s1
InChIKeyYUYQGKUPJOVLRV-VHSXEESVSA-N
MW293.28 g/mol
LogP-0.12
Rot. Bonds5

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

benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate (PubChem CID 13470821) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate
PubChem CID13470821
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Namebenzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate
SMILESNC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H15N3O5/c14-12(18)20-7-9-10(11(17)15-9)16-13(19)21-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,14,18)(H,15,17)(H,16,19)/t9-,10+/m0/s1
InChIKeyYUYQGKUPJOVLRV-VHSXEESVSA-N
XLogP-0.12
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate (CID 13470821) is benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate is NC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate?
The InChIKey is YUYQGKUPJOVLRV-VHSXEESVSA-N. The full InChI is InChI=1S/C13H15N3O5/c14-12(18)20-7-9-10(11(17)15-9)16-13(19)21-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,14,18)(H,15,17)(H,16,19)/t9-,10+/m0/s1.
What are the key properties of benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate?
benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate has a molecular weight of 293.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3R)-2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 13470821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).