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

C16H20N2O5 — CID 15058081

IUPACbenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate
SMILESCC1(C)OC[C@@H]([C@H]2NC(=O)[C@H]2NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-16(2)22-9-11(23-16)12-13(14(19)17-12)18-15(20)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+,13-/m0/s1
InChIKeyOOWUMKHGOVOJLT-XQQFMLRXSA-N
MW320.34 g/mol
LogP0.93
Rot. Bonds4

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

benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate (PubChem CID 15058081) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate
PubChem CID15058081
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Namebenzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate
SMILESCC1(C)OC[C@@H]([C@H]2NC(=O)[C@H]2NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C16H20N2O5/c1-16(2)22-9-11(23-16)12-13(14(19)17-12)18-15(20)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+,13-/m0/s1
InChIKeyOOWUMKHGOVOJLT-XQQFMLRXSA-N
XLogP0.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Benzyl N-[(1S)-3-methyl-1-[(4-oxooxolan-3-yl)carbamoyl]butyl]carbamate
CID 10593841
benzyl N-[(1S)-1-[(4-hydroxyoxolan-3-yl)carbamoyl]-3-methylbutyl]carbamate
CID 10807774
Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-oxo-azetidin-2-yl ester
CID 11703830
Acetic acid (2S,3S)-3-[(1-benzyloxycarbonylamino-cyclohexanecarbonyl)-amino]-4-oxo-azetidin-2-yl ester
CID 10431266
Acetic acid (2S,3S)-3-[(1-benzyloxycarbonylamino-cyclopentanecarbonyl)-amino]-4-oxo-azetidin-2-yl ester
CID 44304563
2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
CID 44304591
2-((2S,3S)-2-Acetoxy-4-oxo-azetidin-3-ylcarbamoyl)-piperidine-1-carboxylic acid benzyl ester
CID 44304611
4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid
CID 44331910
[(S)-2-Methyl-1-((5R,6S)-7-oxo-4-oxa-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-propyl]-carbamic acid benzyl ester
CID 44342776
benzyl N-[1-[[1-(2,2-diethoxyethylamino)-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353606
benzyl N-[1-[[1,2-dioxo-1-(oxolan-2-ylmethylamino)pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353782
benzyl N-[1-[[1-(2,2-dimethoxyethylamino)-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353818

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate (CID 15058081) is benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate is CC1(C)OC[C@@H]([C@H]2NC(=O)[C@H]2NC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate?
The InChIKey is OOWUMKHGOVOJLT-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(2)22-9-11(23-16)12-13(14(19)17-12)18-15(20)21-8-10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3,(H,17,19)(H,18,20)/t11-,12+,13-/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate?
benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate has a molecular weight of 320.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 15058081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).