(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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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).