benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate

C26H28N2O4 — CID 10884533

IUPACbenzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1
InChIInChI=1S/C26H28N2O4/c1-18(2)23(27-26(30)32-17-20-12-7-4-8-13-20)22-24(21-14-9-15-31-21)28(25(22)29)16-19-10-5-3-6-11-19/h3-15,18,22-24H,16-17H2,1-2H3,(H,27,30)/t22-,23+,24-/m1/s1
InChIKeyGSRYXJYKULNQGH-TZRRMPRUSA-N
MW432.52 g/mol
LogP4.93
Rot. Bonds8

About benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate

benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate (PubChem CID 10884533) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate
PubChem CID10884533
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Namebenzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1
InChIInChI=1S/C26H28N2O4/c1-18(2)23(27-26(30)32-17-20-12-7-4-8-13-20)22-24(21-14-9-15-31-21)28(25(22)29)16-19-10-5-3-6-11-19/h3-15,18,22-24H,16-17H2,1-2H3,(H,27,30)/t22-,23+,24-/m1/s1
InChIKeyGSRYXJYKULNQGH-TZRRMPRUSA-N
XLogP4.93
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate with MolForge

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Related Compounds

benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate
CID 4866646
benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate
CID 10906455
benzyl N-[(2S)-1-[[(1S)-1-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-3-methylbutyl]amino]-1-oxopropan-2-yl]carbamate
CID 102237512
benzyl N-[(1R)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 10576904
benzyl N-[(1S)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 100979222
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(1S)-1-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]-2-methylpropyl]carbamate
CID 139650639
benzyl N-[(4S)-4-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 102093607
methyl (2R,3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51418122
benzyl N-(4-chloro-3-oxobutan-2-yl)carbamate
CID 14021709
benzyl N-[(2S)-4-chloro-3-oxobutan-2-yl]carbamate
CID 5491980
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
CID 130791608

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate (CID 10884533) is benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate is CC(C)[C@H](NC(=O)OCc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1.
What is the InChIKey of benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate?
The InChIKey is GSRYXJYKULNQGH-TZRRMPRUSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18(2)23(27-26(30)32-17-20-12-7-4-8-13-20)22-24(21-14-9-15-31-21)28(25(22)29)16-19-10-5-3-6-11-19/h3-15,18,22-24H,16-17H2,1-2H3,(H,27,30)/t22-,23+,24-/m1/s1.
What are the key properties of benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate?
benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 10884533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).