benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate

C19H24N2O5 — CID 70493324

IUPACbenzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate
SMILESCC1(C)OC[C@@H](C2CC(=O)N2CC=CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C19H24N2O5/c1-19(2)25-13-16(26-19)15-11-17(22)21(15)10-6-9-20-18(23)24-12-14-7-4-3-5-8-14/h3-9,15-16H,10-13H2,1-2H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyPFHPYPKADLGLED-LYKKTTPLSA-N
MW360.41 g/mol
LogP2.18
Rot. Bonds6

About benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate

benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate (PubChem CID 70493324) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate
PubChem CID70493324
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebenzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate
SMILESCC1(C)OC[C@@H](C2CC(=O)N2CC=CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C19H24N2O5/c1-19(2)25-13-16(26-19)15-11-17(22)21(15)10-6-9-20-18(23)24-12-14-7-4-3-5-8-14/h3-9,15-16H,10-13H2,1-2H3,(H,20,23)/t15?,16-/m0/s1
InChIKeyPFHPYPKADLGLED-LYKKTTPLSA-N
XLogP2.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate?
The IUPAC name of benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate (CID 70493324) is benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate is CC1(C)OC[C@@H](C2CC(=O)N2CC=CNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate?
The InChIKey is PFHPYPKADLGLED-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(2)25-13-16(26-19)15-11-17(22)21(15)10-6-9-20-18(23)24-12-14-7-4-3-5-8-14/h3-9,15-16H,10-13H2,1-2H3,(H,20,23)/t15?,16-/m0/s1.
What are the key properties of benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate?
benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-1-yl]prop-1-enyl]carbamate is sourced from PubChem (CID 70493324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).