benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate

C19H23NO5 — CID 177466679

IUPACbenzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate
SMILESC[C@@H](OC(=O)OCc1ccccc1)[C@H]1C(=O)N[C@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C19H23NO5/c1-12(25-19(23)24-11-13-7-3-2-4-8-13)16-17(20-18(16)22)14-9-5-6-10-15(14)21/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3,(H,20,22)/t12-,14-,16-,17+/m1/s1
InChIKeyRGLOXKZMOLSJRK-WNOSKKOXSA-N
MW345.40 g/mol
LogP2.60
Rot. Bonds5

About benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate

benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate (PubChem CID 177466679) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate.

Molecular Properties

Compound Namebenzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate
PubChem CID177466679
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namebenzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate
SMILESC[C@@H](OC(=O)OCc1ccccc1)[C@H]1C(=O)N[C@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C19H23NO5/c1-12(25-19(23)24-11-13-7-3-2-4-8-13)16-17(20-18(16)22)14-9-5-6-10-15(14)21/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3,(H,20,22)/t12-,14-,16-,17+/m1/s1
InChIKeyRGLOXKZMOLSJRK-WNOSKKOXSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate with MolForge

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Related Compounds

benzyl [(1R)-1-[(2S,3S)-2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl] carbonate
CID 70460094
benzyl 1-[2-(1-hydroxy-2-methyl-3-phenylbutan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 74001429
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
[(1S)-1-[(2R,3S)-2-(2-hydroxyethyl)-4-oxoazetidin-3-yl]ethyl] (4-nitrophenyl)methyl carbonate
CID 56606203
benzyl (1S,5R,8aS,8bR)-5-methoxy-1-[(1R)-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate
CID 10578592
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
CID 13471581
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545

Frequently Asked Questions

What is the IUPAC name of benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate?
The IUPAC name of benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate (CID 177466679) is benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate.
What is the SMILES notation for benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate?
The canonical SMILES for benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate is C[C@@H](OC(=O)OCc1ccccc1)[C@H]1C(=O)N[C@H]1[C@@H]1CCCCC1=O.
What is the InChIKey of benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate?
The InChIKey is RGLOXKZMOLSJRK-WNOSKKOXSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(25-19(23)24-11-13-7-3-2-4-8-13)16-17(20-18(16)22)14-9-5-6-10-15(14)21/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3,(H,20,22)/t12-,14-,16-,17+/m1/s1.
What are the key properties of benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate?
benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate has a molecular weight of 345.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(1R)-1-[(3S,4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-3-yl]ethyl] carbonate is sourced from PubChem (CID 177466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).