(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid

C11H19NO5 — CID 54518628

IUPAC(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid
SMILESC[C@@H]1CC(C(=O)OO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-7-5-8(9(13)17-15)6-12(7)10(14)16-11(2,3)4/h7-8,15H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyYOEDIDKSNUDXEE-GVHYBUMESA-N
MW245.27 g/mol
LogP1.65
Rot. Bonds1

About (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid

(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid (PubChem CID 54518628) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid.

Molecular Properties

Compound Name(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid
PubChem CID54518628
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid
SMILESC[C@@H]1CC(C(=O)OO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO5/c1-7-5-8(9(13)17-15)6-12(7)10(14)16-11(2,3)4/h7-8,15H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyYOEDIDKSNUDXEE-GVHYBUMESA-N
XLogP1.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
tert-butyl (2S)-4-deuterio-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 172693001
1-O-tert-butyl 3-O-methyl (3S,6R)-6-methylpiperidine-1,3-dicarboxylate
CID 59277660
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl (2R,5S)-4-chloro-2,5-dimethylpiperazine-1-carboxylate
CID 86683704
1-O-tert-butyl 4-O-(chloromethyl) (2R,4S)-2-methylpiperidine-1,4-dicarboxylate
CID 165438815
tert-butyl (2R)-4-(benzylcarbamoyl)-2-methylpyrrolidine-1-carboxylate
CID 67435670
tert-butyl (2S,4R)-4-azido-2-methylpyrrolidine-1-carboxylate
CID 59556056

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid?
The IUPAC name of (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid (CID 54518628) is (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid.
What is the SMILES notation for (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid?
The canonical SMILES for (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid is C[C@@H]1CC(C(=O)OO)CN1C(=O)OC(C)(C)C.
What is the InChIKey of (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid?
The InChIKey is YOEDIDKSNUDXEE-GVHYBUMESA-N. The full InChI is InChI=1S/C11H19NO5/c1-7-5-8(9(13)17-15)6-12(7)10(14)16-11(2,3)4/h7-8,15H,5-6H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid?
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid has a molecular weight of 245.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid is sourced from PubChem (CID 54518628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).