[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate

C11H14N2O6 — CID 66848985

IUPAC[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)OCOC(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C11H14N2O6/c14-8-3-1-6(12-8)10(16)18-5-19-11(17)7-2-4-9(15)13-7/h6-7H,1-5H2,(H,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKeyJMUPLMSJUGFLDW-BQBZGAKWSA-N
MW270.24 g/mol
LogP-1.41
Rot. Bonds4

About [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate

[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 66848985) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID66848985
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)OCOC(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C11H14N2O6/c14-8-3-1-6(12-8)10(16)18-5-19-11(17)7-2-4-9(15)13-7/h6-7H,1-5H2,(H,12,14)(H,13,15)/t6-,7-/m0/s1
InChIKeyJMUPLMSJUGFLDW-BQBZGAKWSA-N
XLogP-1.41
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate (CID 66848985) is [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)OCOC(=O)[C@@H]2CCC(=O)N2)N1.
What is the InChIKey of [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is JMUPLMSJUGFLDW-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-8-3-1-6(12-8)10(16)18-5-19-11(17)7-2-4-9(15)13-7/h6-7H,1-5H2,(H,12,14)(H,13,15)/t6-,7-/m0/s1.
What are the key properties of [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate?
[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 270.24 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 66848985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).