[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

C16H16N2O8 — CID 57324356

IUPAC[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)ON2OC[C@@H](NC(=O)OCc3ccccc3)C2=O)O1
InChIInChI=1S/C16H16N2O8/c19-13-7-6-12(25-13)15(21)26-18-14(20)11(9-24-18)17-16(22)23-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,22)/t11-,12?/m1/s1
InChIKeyFVUFUTOYEFHGGR-JHJMLUEUSA-N
MW364.31 g/mol
LogP0.22
Rot. Bonds5

About [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate

[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (PubChem CID 57324356) has the molecular formula C16H16N2O8 and a molecular weight of 364.31 g/mol. Its IUPAC name is [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Name[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
PubChem CID57324356
Molecular FormulaC16H16N2O8
Molecular Weight364.31 g/mol
Exact Mass364.09
IUPAC Name[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)ON2OC[C@@H](NC(=O)OCc3ccccc3)C2=O)O1
InChIInChI=1S/C16H16N2O8/c19-13-7-6-12(25-13)15(21)26-18-14(20)11(9-24-18)17-16(22)23-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,22)/t11-,12?/m1/s1
InChIKeyFVUFUTOYEFHGGR-JHJMLUEUSA-N
XLogP0.22
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

disodium;2-oxo-2-[[3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]-1-phenylethanesulfonic acid
CID 19869025
[(4S)-4-(3-cyanobut-3-enethioylamino)-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate
CID 57189884
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-[(3S,6S,9aR)-5-oxo-3-phenyl-3,6,7,8,9,9a-hexahydro-2H-[1,3]oxazolo[3,2-a]azepin-6-yl]carbamate
CID 102161990
benzyl N-[(2R,3S,6S,9aR)-3-benzyl-2-hydroxy-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]oxazolo[3,2-a]azepin-6-yl]carbamate;benzyl N-[(2S,3R,6S,9aR)-3-benzyl-2-hydroxy-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]oxazolo[3,2-a]azepin-6-yl]carbamate
CID 56672908
2-[2-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]acetic acid
CID 23213435
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
sodium;hydride;2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 173435022
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(4-nitrophenyl)methyl 5-oxo-2-[(4S)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl]oxolane-2-carboxylate
CID 14798654

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?
The IUPAC name of [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate (CID 57324356) is [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate.
What is the SMILES notation for [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?
The canonical SMILES for [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)ON2OC[C@@H](NC(=O)OCc3ccccc3)C2=O)O1.
What is the InChIKey of [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?
The InChIKey is FVUFUTOYEFHGGR-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H16N2O8/c19-13-7-6-12(25-13)15(21)26-18-14(20)11(9-24-18)17-16(22)23-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,22)/t11-,12?/m1/s1.
What are the key properties of [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate?
[(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate has a molecular weight of 364.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-oxo-4-(phenylmethoxycarbonylamino)-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate is sourced from PubChem (CID 57324356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).