[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate

C6H9NO4 — CID 89497361

IUPAC[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate
SMILESCN1C[C@@H](OC(=O)O)CC1=O
InChIInChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyCYYFVNAAGPQUJV-BYPYZUCNSA-N
MW159.14 g/mol
LogP-0.09
Rot. Bonds1

About [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate

[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate (PubChem CID 89497361) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate
PubChem CID89497361
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate
SMILESCN1C[C@@H](OC(=O)O)CC1=O
InChIInChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyCYYFVNAAGPQUJV-BYPYZUCNSA-N
XLogP-0.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The IUPAC name of [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate (CID 89497361) is [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The canonical SMILES for [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate is CN1C[C@@H](OC(=O)O)CC1=O.
What is the InChIKey of [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate?
The InChIKey is CYYFVNAAGPQUJV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate?
[(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate has a molecular weight of 159.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-methyl-5-oxopyrrolidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 89497361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).