(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate

C12H17NO5 — CID 153133144

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate
SMILESCC12CC(OC(=O)ON3C(=O)CCC3O)C[C@@H]1C2
InChIInChI=1S/C12H17NO5/c1-12-5-7(12)4-8(6-12)17-11(16)18-13-9(14)2-3-10(13)15/h7-9,14H,2-6H2,1H3/t7-,8?,9?,12?/m1/s1
InChIKeyVXDCASZZOCAPPK-SNYNKORZSA-N
MW255.27 g/mol
LogP1.18
Rot. Bonds2

About (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate

(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate (PubChem CID 153133144) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate
PubChem CID153133144
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate
SMILESCC12CC(OC(=O)ON3C(=O)CCC3O)C[C@@H]1C2
InChIInChI=1S/C12H17NO5/c1-12-5-7(12)4-8(6-12)17-11(16)18-13-9(14)2-3-10(13)15/h7-9,14H,2-6H2,1H3/t7-,8?,9?,12?/m1/s1
InChIKeyVXDCASZZOCAPPK-SNYNKORZSA-N
XLogP1.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
CID 146560988
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 155350859
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-[3,5-bis[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]acetate
CID 134502036
ethane;1-(1-methoxyethenoxy)pyrrolidine-2,5-dione;(1S,8R)-1-methylbicyclo[6.1.0]non-4-yne
CID 144985081
2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate
CID 143261776
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-(4-fluorosulfonyloxyphenyl)propanoate
CID 166157782

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate (CID 153133144) is (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate is CC12CC(OC(=O)ON3C(=O)CCC3O)C[C@@H]1C2.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate?
The InChIKey is VXDCASZZOCAPPK-SNYNKORZSA-N. The full InChI is InChI=1S/C12H17NO5/c1-12-5-7(12)4-8(6-12)17-11(16)18-13-9(14)2-3-10(13)15/h7-9,14H,2-6H2,1H3/t7-,8?,9?,12?/m1/s1.
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate?
(2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate has a molecular weight of 255.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) [(5S)-1-methyl-3-bicyclo[3.1.0]hexanyl] carbonate is sourced from PubChem (CID 153133144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).